1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane

C32H60 — CID 58552489

IUPAC1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane
SMILESCCCC1CCC(C2CC(CCC(C)(C)C)CC(CCC(C)(C)C)C2)C1CC1CCCC1
InChIInChI=1S/C32H60/c1-8-11-27-14-15-29(30(27)23-24-12-9-10-13-24)28-21-25(16-18-31(2,3)4)20-26(22-28)17-19-32(5,6)7/h24-30H,8-23H2,1-7H3
InChIKeyFEUVYTRAOHJUQP-UHFFFAOYSA-N
MW444.83 g/mol
LogP10.69
Rot. Bonds9

About 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane

1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane (PubChem CID 58552489) has the molecular formula C32H60 and a molecular weight of 444.83 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane.

Molecular Properties

Compound Name1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane
PubChem CID58552489
Molecular FormulaC32H60
Molecular Weight444.83 g/mol
Exact Mass444.47
IUPAC Name1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane
SMILESCCCC1CCC(C2CC(CCC(C)(C)C)CC(CCC(C)(C)C)C2)C1CC1CCCC1
InChIInChI=1S/C32H60/c1-8-11-27-14-15-29(30(27)23-24-12-9-10-13-24)28-21-25(16-18-31(2,3)4)20-26(22-28)17-19-32(5,6)7/h24-30H,8-23H2,1-7H3
InChIKeyFEUVYTRAOHJUQP-UHFFFAOYSA-N
XLogP10.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4-dimethylpentylcycloundecane
CID 176613669
propylcyclotetradecane
CID 90991550
2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
CID 163656344
3,3-dimethylbutylcycloheptane;5,5-dimethylhexylcycloheptane;5,5-dimethylhexylcyclohexane;4,4-dimethylpentylcycloheptane;4,4-dimethylpentylcyclohexane;2,2-dimethylpropylcycloheptane
CID 157446599
formonitrile;propylcyclohexane
CID 174902049
1-cyclohexyl-6-propylcyclodecane
CID 58552139
1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane
CID 58552442
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 142245917
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143342565
(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane
CID 158852115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane?
The IUPAC name of 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane (CID 58552489) is 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane.
What is the SMILES notation for 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane?
The canonical SMILES for 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane is CCCC1CCC(C2CC(CCC(C)(C)C)CC(CCC(C)(C)C)C2)C1CC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane?
The InChIKey is FEUVYTRAOHJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60/c1-8-11-27-14-15-29(30(27)23-24-12-9-10-13-24)28-21-25(16-18-31(2,3)4)20-26(22-28)17-19-32(5,6)7/h24-30H,8-23H2,1-7H3.
What are the key properties of 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane?
1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane has a molecular weight of 444.83 g/mol, XLogP of 10.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane is sourced from PubChem (CID 58552489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).