butane;pentan-2-ylcyclohexane

C15H32 — CID 143682251

IUPACbutane;pentan-2-ylcyclohexane
SMILESCCCC.CCCC(C)C1CCCCC1
InChIInChI=1S/C11H22.C4H10/c1-3-7-10(2)11-8-5-4-6-9-11;1-3-4-2/h10-11H,3-9H2,1-2H3;3-4H2,1-2H3
InChIKeyQPLJNYLWXKMSIS-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds4

About butane;pentan-2-ylcyclohexane

butane;pentan-2-ylcyclohexane (PubChem CID 143682251) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is butane;pentan-2-ylcyclohexane.

Molecular Properties

Compound Namebutane;pentan-2-ylcyclohexane
PubChem CID143682251
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Namebutane;pentan-2-ylcyclohexane
SMILESCCCC.CCCC(C)C1CCCCC1
InChIInChI=1S/C11H22.C4H10/c1-3-7-10(2)11-8-5-4-6-9-11;1-3-4-2/h10-11H,3-9H2,1-2H3;3-4H2,1-2H3
InChIKeyQPLJNYLWXKMSIS-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;pentan-2-ylcyclohexane
CID 143225886
7-cyclohexyloctan-4-ol
CID 66612590
7-methyloctan-2-ylcyclohexane
CID 54518526
butan-2-ylcyclohexadecane
CID 123713671
3-pentan-2-ylazepane
CID 107889859
butan-2-ylcyclohexane;ethane
CID 143005290
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine
CID 123655087
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
butan-2-ylcyclohexane;ethane;propane
CID 143477078
3-pentan-2-ylcycloheptan-1-one
CID 107888123
butan-2-ylcyclohexane;heptane
CID 143477095

Frequently Asked Questions

What is the IUPAC name of butane;pentan-2-ylcyclohexane?
The IUPAC name of butane;pentan-2-ylcyclohexane (CID 143682251) is butane;pentan-2-ylcyclohexane.
What is the SMILES notation for butane;pentan-2-ylcyclohexane?
The canonical SMILES for butane;pentan-2-ylcyclohexane is CCCC.CCCC(C)C1CCCCC1.
What is the InChIKey of butane;pentan-2-ylcyclohexane?
The InChIKey is QPLJNYLWXKMSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C4H10/c1-3-7-10(2)11-8-5-4-6-9-11;1-3-4-2/h10-11H,3-9H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;pentan-2-ylcyclohexane?
butane;pentan-2-ylcyclohexane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;pentan-2-ylcyclohexane is sourced from PubChem (CID 143682251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).