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
4.8344 -0.4557 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7337 -1.0733 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7368 -0.4867 0.9998 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5371 0.0427 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0056 1.1246 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7916 0.7299 1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5782 1.1384 0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3123 -0.1977 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 -0.9427 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 -0.9789 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7603 0.1377 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9957 0.9882 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6481 -1.0660 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5761 -0.9610 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9941 0.5627 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5796 -2.1012 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 1.3848 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8943 0.7992 -1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2294 2.0217 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2696 1.6634 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6274 0.0892 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4677 1.6521 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0674 1.7315 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1730 -0.7530 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0436 -0.5022 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1111 -1.9865 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1594 -1.0017 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1143 -1.9933 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0888 0.7346 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0640 1.3452 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3861 1.9140 -0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9429 0.4128 -1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3349 -1.8682 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6855 -1.3871 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6941 -0.7173 0.7441 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