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
4.0893 1.5342 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5650 0.3520 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3937 0.2365 -0.6632 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4523 -0.7340 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1466 -2.0805 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3085 -0.7851 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 0.4460 -1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0835 0.6667 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4718 -0.2458 1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 -0.3780 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5744 0.6250 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1859 -0.6598 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2031 1.7427 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9840 1.5901 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6178 2.4401 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0184 -0.5524 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 -2.8934 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 -2.2591 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0253 -2.0765 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7356 -0.8147 -2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2401 -1.7204 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 1.3037 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3677 0.3447 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 1.7113 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9755 -1.2300 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6670 0.2018 2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3471 -1.1998 1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5068 0.5528 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8489 0.7972 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6088 -1.5589 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 -0.6856 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1667 -0.7723 0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4270 2.2659 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7116 2.4809 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9715 1.3548 -1.1607 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