2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene

C21H36 — CID 91217519

IUPAC2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene
SMILESCC(C1CCCCC1)C1(C)CC2CCCC3CCCC1C32
InChIInChI=1S/C21H36/c1-15(16-8-4-3-5-9-16)21(2)14-18-12-6-10-17-11-7-13-19(21)20(17)18/h15-20H,3-14H2,1-2H3
InChIKeyRVWZAPSTRXHUJO-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.45
Rot. Bonds2

About 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene

2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene (PubChem CID 91217519) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene
PubChem CID91217519
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene
SMILESCC(C1CCCCC1)C1(C)CC2CCCC3CCCC1C32
InChIInChI=1S/C21H36/c1-15(16-8-4-3-5-9-16)21(2)14-18-12-6-10-17-11-7-13-19(21)20(17)18/h15-20H,3-14H2,1-2H3
InChIKeyRVWZAPSTRXHUJO-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene with MolForge

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Related Compounds

1-(1-methylcyclopentyl)ethylcyclohexane
CID 91321449
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
CID 140752694
1,1-bis(1-cyclohexylethyl)cyclohexane
CID 23163026
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 23383570
3-(1-cyclohexylethyl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91349857
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 143216402
tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207
N-propan-2-ylcycloheptanamine
CID 42562651
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
(R)-cyclohexyl-[(1R)-2,2-dimethylcyclopropyl]methanol
CID 101342425
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene?
The IUPAC name of 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene (CID 91217519) is 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene.
What is the SMILES notation for 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene?
The canonical SMILES for 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene is CC(C1CCCCC1)C1(C)CC2CCCC3CCCC1C32.
What is the InChIKey of 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene?
The InChIKey is RVWZAPSTRXHUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-15(16-8-4-3-5-9-16)21(2)14-18-12-6-10-17-11-7-13-19(21)20(17)18/h15-20H,3-14H2,1-2H3.
What are the key properties of 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene?
2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene has a molecular weight of 288.52 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 2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene is sourced from PubChem (CID 91217519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).