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
-3.9274 1.8252 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6403 0.5857 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6509 -0.1015 -0.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5431 -0.6960 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1944 -1.7004 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6621 -1.3770 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 -0.7658 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 0.3263 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 0.1967 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 0.3665 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5921 0.4895 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3459 -0.7247 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0461 1.6564 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7088 2.3642 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4046 2.3138 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1651 0.1017 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7492 -2.4173 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3592 -2.2189 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8099 -1.1351 1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2389 -1.5714 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4686 -2.4202 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6042 -0.3490 -2.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4531 -1.5378 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6711 1.2904 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8030 -0.7945 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9266 1.0456 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0699 1.3502 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4528 0.4400 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8903 0.7187 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 -1.1461 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4068 -0.3936 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4391 -1.4990 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0554 1.3858 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0961 1.8751 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3704 2.5165 0.1638 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