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
4.3108 1.5827 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7377 0.4075 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7226 0.2205 1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5697 -0.4777 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0668 -1.8486 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9813 0.2602 -0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2704 1.0221 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3174 0.2142 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7563 -1.0781 0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5582 -0.7019 1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5118 0.0267 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0406 1.4337 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6339 -0.6981 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0952 1.6879 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9993 2.4196 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0371 -0.4503 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4382 -1.8079 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 -2.1430 0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2877 -2.6204 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7209 1.0168 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8219 -0.4419 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0171 1.9375 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6738 1.4062 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6827 0.7854 1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 -1.7181 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4086 -1.5992 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8513 -1.4362 2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 0.2783 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2692 -0.5268 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7191 1.7673 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 2.1780 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1375 1.4766 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7970 -0.2299 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5695 -0.5479 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4799 -1.7951 0.2693 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