1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene

C21H36 — CID 91081073

IUPAC1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
SMILESCC(C)(C1CCCCC1)C1CC2CCCC3CCCC1C32
InChIInChI=1S/C21H36/c1-21(2,17-11-4-3-5-12-17)19-14-16-10-6-8-15-9-7-13-18(19)20(15)16/h15-20H,3-14H2,1-2H3
InChIKeyHFKYTHSBQONQOT-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.45
Rot. Bonds2

About 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene

1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene (PubChem CID 91081073) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene.

Molecular Properties

Compound Name1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
PubChem CID91081073
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
SMILESCC(C)(C1CCCCC1)C1CC2CCCC3CCCC1C32
InChIInChI=1S/C21H36/c1-21(2,17-11-4-3-5-12-17)19-14-16-10-6-8-15-9-7-13-18(19)20(15)16/h15-20H,3-14H2,1-2H3
InChIKeyHFKYTHSBQONQOT-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

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Related Compounds

2-(2-cyclohexylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920186
2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
CID 144841343
1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 158093658
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
1-(2-cyclohexylpropan-2-yl)-2-propan-2-ylcyclohexane
CID 154060450
2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane
CID 82924227
1-(2-cyclopentylpropan-2-yl)-3-methylcyclopentane
CID 163483519
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
CID 163468164
1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58897796
3-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexan-1-ol;hypobromous acid
CID 142004592
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
1,3-ditert-butylcyclohexane;sulfane
CID 159387743

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene?
The IUPAC name of 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene (CID 91081073) is 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene.
What is the SMILES notation for 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene?
The canonical SMILES for 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene is CC(C)(C1CCCCC1)C1CC2CCCC3CCCC1C32.
What is the InChIKey of 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene?
The InChIKey is HFKYTHSBQONQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-21(2,17-11-4-3-5-12-17)19-14-16-10-6-8-15-9-7-13-18(19)20(15)16/h15-20H,3-14H2,1-2H3.
What are the key properties of 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene?
1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene 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 1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene is sourced from PubChem (CID 91081073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).