1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C21H38 — CID 173085901

IUPAC1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(CC(C)(C)C2CCCC3CCCCC32)CC1
InChIInChI=1S/C21H38/c1-16-11-13-17(14-12-16)15-21(2,3)20-10-6-8-18-7-4-5-9-19(18)20/h16-20H,4-15H2,1-3H3
InChIKeyDVUCTTPZMKTFMQ-UHFFFAOYSA-N
MW290.53 g/mol
LogP6.84
Rot. Bonds3

About 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 173085901) has the molecular formula C21H38 and a molecular weight of 290.53 g/mol. Its IUPAC name is 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID173085901
Molecular FormulaC21H38
Molecular Weight290.53 g/mol
Exact Mass290.30
IUPAC Name1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(CC(C)(C)C2CCCC3CCCCC32)CC1
InChIInChI=1S/C21H38/c1-16-11-13-17(14-12-16)15-21(2,3)20-10-6-8-18-7-4-5-9-19(18)20/h16-20H,4-15H2,1-3H3
InChIKeyDVUCTTPZMKTFMQ-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.53
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
2-(1-cyclopentyl-2-methylpropan-2-yl)-5-methylcyclohexan-1-amine
CID 64765709
2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321
1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123685211
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
[2-(4-methylcyclohexyl)cyclohexyl]methanamine
CID 81010575
[2-(4-methylcyclohexyl)cyclopentyl]methanamine
CID 81011106
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 173085901) is 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC(CC(C)(C)C2CCCC3CCCCC32)CC1.
What is the InChIKey of 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is DVUCTTPZMKTFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-16-11-13-17(14-12-16)15-21(2,3)20-10-6-8-18-7-4-5-9-19(18)20/h16-20H,4-15H2,1-3H3.
What are the key properties of 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 290.53 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 173085901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).