Monomers
1-Ethenoxy-1-methyl-4-propan-2-ylcyclohexane
Identifiers
IUPAC name
1-ethenoxy-1-methyl-4-propan-2-ylcyclohexane
InchI
InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5,10-11H,1,6-9H2,2-4H3
InchI Key
WRUMORYYDBPISA-UHFFFAOYSA-N
SMILES
C=COC1(C)CCC(CC1)C(C)C
Canonical SMILES
CC(C)C1CCC(CC1)(C)OC=C
Isomeric SMILES
CC(C)C1CCC(CC1)(C)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O
Heavy Atom Count
13
Molecular Weight
182.307
Exact Molecular Weight
182.1671
Valence Electrons
76
Radical Electrons
0
tPSA
9.23
MolLogP
3.7514
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
35 35 0 0 0 0 0 0 0 0999 V2000
3.7130 1.1853 1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1392 0.0662 2.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2350 -0.6546 1.5353 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6277 -0.3211 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7024 -0.1262 -0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8172 -1.5450 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3290 -1.0987 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3199 -0.3891 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6568 0.6326 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7744 0.9086 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4315 0.1969 -0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4553 0.9200 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 -0.9203 -1.6704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4097 1.6592 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5475 1.6824 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3944 -0.3282 3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5730 -0.8412 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7060 -0.3599 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6351 0.8819 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3764 -2.0464 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4445 -2.2730 -0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0119 -0.3974 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8167 -1.9512 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7870 -1.1457 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 0.3903 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2073 1.5894 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7429 1.4031 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1550 1.6670 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 0.9048 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4218 2.0148 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4941 0.5990 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3267 0.7007 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9853 -1.8584 -1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6937 -1.1114 -2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2390 -0.7491 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
8 11 1 0
11 12 1 0
11 13 1 0
10 4 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
7 23 1 0
8 24 1 0
9 25 1 0
9 26 1 0
10 27 1 0
10 28 1 0
11 29 1 0
12 30 1 0
12 31 1 0
12 32 1 0
13 33 1 0
13 34 1 0
13 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers