1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C24H42 — CID 140664709

IUPAC1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C1CCCCC1)C1CCC(C2CCCCC2)C2CCCCC12
InChIInChI=1S/C24H42/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h18-24H,2-17H2,1H3
InChIKeyKKOAVHSWHVCCLM-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.62
Rot. Bonds3

About 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 140664709) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID140664709
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C1CCCCC1)C1CCC(C2CCCCC2)C2CCCCC12
InChIInChI=1S/C24H42/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h18-24H,2-17H2,1H3
InChIKeyKKOAVHSWHVCCLM-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

3-(1-cyclohexylethyl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91349857
(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
CID 156740925
1-cyclopentylethylcyclohexane
CID 57034702
1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920180
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 57123873
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
1-(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-propan-2-ylsulfanylpropane-1-thiol
CID 155306363
1-cyclopropylethylcyclopentane
CID 147777183
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 140664709) is 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC(C1CCCCC1)C1CCC(C2CCCCC2)C2CCCCC12.
What is the InChIKey of 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is KKOAVHSWHVCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h18-24H,2-17H2,1H3.
What are the key properties of 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 330.60 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 140664709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).