(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane

C16H30 — CID 123949424

IUPAC(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
SMILESCC(CC(C)C(C)C1CCC1)C1CCCC1
InChIInChI=1S/C16H30/c1-12(14(3)16-9-6-10-16)11-13(2)15-7-4-5-8-15/h12-16H,4-11H2,1-3H3
InChIKeyXBDNIZSKGZLNFV-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds5

About (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane

(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane (PubChem CID 123949424) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
PubChem CID123949424
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
SMILESCC(CC(C)C(C)C1CCC1)C1CCCC1
InChIInChI=1S/C16H30/c1-12(14(3)16-9-6-10-16)11-13(2)15-7-4-5-8-15/h12-16H,4-11H2,1-3H3
InChIKeyXBDNIZSKGZLNFV-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-dimethylheptan-2-ylcyclobutane
CID 123660607
3,5,6,6-tetramethylheptan-2-ylcyclobutane
CID 123690991
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
2-amino-5-cyclobutyl-4-methylhexanoic acid
CID 174468126
3-cyclobutylbutan-2-ol
CID 54399039
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
CID 167083004
3,5-dimethylnonan-2-ylcycloheptane
CID 123664073
butan-2-ylcyclopentane;ethane
CID 143236269
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
butan-2-ylcyclohexadecane
CID 123713671

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane?
The IUPAC name of (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane (CID 123949424) is (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane.
What is the SMILES notation for (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane?
The canonical SMILES for (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane is CC(CC(C)C(C)C1CCC1)C1CCCC1.
What is the InChIKey of (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane?
The InChIKey is XBDNIZSKGZLNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-12(14(3)16-9-6-10-16)11-13(2)15-7-4-5-8-15/h12-16H,4-11H2,1-3H3.
What are the key properties of (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane?
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane has a molecular weight of 222.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-4-methylhexan-2-yl)cyclopentane is sourced from PubChem (CID 123949424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).