8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

C20H36 — CID 57123873

IUPAC8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCC(C1CCCCC1)C1C2CCCCC2CCC1(C)C
InChIInChI=1S/C20H36/c1-15(16-9-5-4-6-10-16)19-18-12-8-7-11-17(18)13-14-20(19,2)3/h15-19H,4-14H2,1-3H3
InChIKeyZFDRGGAPPQUSCC-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.45
Rot. Bonds2

About 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (PubChem CID 57123873) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
PubChem CID57123873
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCC(C1CCCCC1)C1C2CCCCC2CCC1(C)C
InChIInChI=1S/C20H36/c1-15(16-9-5-4-6-10-16)19-18-12-8-7-11-17(18)13-14-20(19,2)3/h15-19H,4-14H2,1-3H3
InChIKeyZFDRGGAPPQUSCC-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene with MolForge

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Related Compounds

1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140664709
1-cyclopentylethylcyclohexane
CID 57034702
1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920180
3-(1-cyclohexylethyl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91349857
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-cyclopropylethylcyclopentane
CID 147777183
[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane
CID 91539241
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
1-(1-methylcyclopentyl)ethylcyclohexane
CID 91321449
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
(2-methylcyclopropyl)cyclooctane
CID 19768877
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The IUPAC name of 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (CID 57123873) is 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The canonical SMILES for 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is CC(C1CCCCC1)C1C2CCCCC2CCC1(C)C.
What is the InChIKey of 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The InChIKey is ZFDRGGAPPQUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-15(16-9-5-4-6-10-16)19-18-12-8-7-11-17(18)13-14-20(19,2)3/h15-19H,4-14H2,1-3H3.
What are the key properties of 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene has a molecular weight of 276.51 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 57123873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).