(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane

C16H30 — CID 143562846

IUPAC(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
SMILESCC(C)C(CC1CCCC1)C1CCCCC1
InChIInChI=1S/C16H30/c1-13(2)16(12-14-8-6-7-9-14)15-10-4-3-5-11-15/h13-16H,3-12H2,1-2H3
InChIKeyZZKMGPKBHGLRHK-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds4

About (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane

(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane (PubChem CID 143562846) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
PubChem CID143562846
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
SMILESCC(C)C(CC1CCCC1)C1CCCCC1
InChIInChI=1S/C16H30/c1-13(2)16(12-14-8-6-7-9-14)15-10-4-3-5-11-15/h13-16H,3-12H2,1-2H3
InChIKeyZZKMGPKBHGLRHK-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane?
The IUPAC name of (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane (CID 143562846) is (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane?
The canonical SMILES for (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane is CC(C)C(CC1CCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane?
The InChIKey is ZZKMGPKBHGLRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-13(2)16(12-14-8-6-7-9-14)15-10-4-3-5-11-15/h13-16H,3-12H2,1-2H3.
What are the key properties of (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane?
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-3-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 143562846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).