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
4.9085 -0.2494 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7622 -0.8982 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 -0.5581 0.7232 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -0.0495 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8106 1.2370 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7751 -0.9823 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6912 -0.9912 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3337 -0.2774 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5574 0.9308 1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7803 0.3372 1.5567 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7449 0.1582 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6639 -0.9811 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8329 1.1737 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6463 -0.5464 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1437 0.5865 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5385 -1.7382 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 1.3393 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7872 1.1435 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8947 2.0725 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1014 -0.7774 -1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1813 -2.0190 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0699 -2.0561 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1371 -0.5739 -1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3869 -0.9643 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0894 1.3826 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3488 1.6594 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5803 -0.5988 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 1.0511 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1269 0.6583 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5350 -1.3322 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6219 -1.8066 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7138 -0.5748 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8857 1.5714 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7371 0.6609 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1237 2.0123 -0.6391 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