1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane

C19H36 — CID 59755188

IUPAC1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C)C(C)C2C)C(C)C1C
InChIInChI=1S/C19H36/c1-12-7-9-18(16(5)14(12)3)11-19-10-8-13(2)15(4)17(19)6/h12-19H,7-11H2,1-6H3
InChIKeyGYVXANPUZRHXHD-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.01
Rot. Bonds2

About 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane

1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane (PubChem CID 59755188) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
PubChem CID59755188
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C)C(C)C2C)C(C)C1C
InChIInChI=1S/C19H36/c1-12-7-9-18(16(5)14(12)3)11-19-10-8-13(2)15(4)17(19)6/h12-19H,7-11H2,1-6H3
InChIKeyGYVXANPUZRHXHD-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane
CID 123414823
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
1,2,3,4,7-pentamethylcyclononane
CID 123773414
butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
1-(2,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
CID 155722223
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane
CID 55302290
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
N,N-diethyl-1-[(4S)-3-ethyl-5-methyl-4-[[(1S,3S,4S)-2,3,4-trimethylcyclohexyl]methyl]cyclohexyl]sulfanylethenamine
CID 174297879
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane (CID 59755188) is 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane is CC1CCC(CC2CCC(C)C(C)C2C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane?
The InChIKey is GYVXANPUZRHXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-12-7-9-18(16(5)14(12)3)11-19-10-8-13(2)15(4)17(19)6/h12-19H,7-11H2,1-6H3.
What are the key properties of 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane?
1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 59755188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).