(6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane

C18H34 — CID 163843231

IUPAC(6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane
SMILESCC(C)C(CC(C)(C)CC1CCC1)C1CCCC1
InChIInChI=1S/C18H34/c1-14(2)17(16-10-5-6-11-16)13-18(3,4)12-15-8-7-9-15/h14-17H,5-13H2,1-4H3
InChIKeyONVXXPPVOFBFEE-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds6

About (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane

(6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane (PubChem CID 163843231) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane.

Molecular Properties

Compound Name(6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane
PubChem CID163843231
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane
SMILESCC(C)C(CC(C)(C)CC1CCC1)C1CCCC1
InChIInChI=1S/C18H34/c1-14(2)17(16-10-5-6-11-16)13-18(3,4)12-15-8-7-9-15/h14-17H,5-13H2,1-4H3
InChIKeyONVXXPPVOFBFEE-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
3-cyclopentyl-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240185
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
N-(3-cyclopentyl-2,2-dimethylpropyl)cyclopropanamine
CID 62723939
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
CID 144526650
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
(2-ethyl-2,3-dimethylbutyl)cyclobutane
CID 123708911
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116

Frequently Asked Questions

What is the IUPAC name of (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane?
The IUPAC name of (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane (CID 163843231) is (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane.
What is the SMILES notation for (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane?
The canonical SMILES for (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane is CC(C)C(CC(C)(C)CC1CCC1)C1CCCC1.
What is the InChIKey of (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane?
The InChIKey is ONVXXPPVOFBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-14(2)17(16-10-5-6-11-16)13-18(3,4)12-15-8-7-9-15/h14-17H,5-13H2,1-4H3.
What are the key properties of (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane?
(6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane has a molecular weight of 250.47 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclobutyl-2,5,5-trimethylhexan-3-yl)cyclopentane is sourced from PubChem (CID 163843231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).