1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane

C20H38 — CID 173110598

IUPAC1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)(C2CCCC(C)(C(C)C)C2)CC1
InChIInChI=1S/C20H38/c1-15(2)19(6)11-7-8-18(14-19)20(16(3)4)12-9-17(5)10-13-20/h15-18H,7-14H2,1-6H3
InChIKeyFXAGTSBRWDTLSK-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds3

About 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane

1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane (PubChem CID 173110598) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
PubChem CID173110598
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)(C2CCCC(C)(C(C)C)C2)CC1
InChIInChI=1S/C20H38/c1-15(2)19(6)11-7-8-18(14-19)20(16(3)4)12-9-17(5)10-13-20/h15-18H,7-14H2,1-6H3
InChIKeyFXAGTSBRWDTLSK-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
(1,3-dimethylcyclobutyl)cyclopentane
CID 146720306
trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
CID 59970292
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate
CID 20570511
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
The IUPAC name of 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane (CID 173110598) is 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)(C2CCCC(C)(C(C)C)C2)CC1.
What is the InChIKey of 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
The InChIKey is FXAGTSBRWDTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-15(2)19(6)11-7-8-18(14-19)20(16(3)4)12-9-17(5)10-13-20/h15-18H,7-14H2,1-6H3.
What are the key properties of 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 173110598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).