3-cyclopentylpentan-3-ylcyclohexane

C16H30 — CID 91156849

IUPAC3-cyclopentylpentan-3-ylcyclohexane
SMILESCCC(CC)(C1CCCCC1)C1CCCC1
InChIInChI=1S/C16H30/c1-3-16(4-2,15-12-8-9-13-15)14-10-6-5-7-11-14/h14-15H,3-13H2,1-2H3
InChIKeyYJWFVKJMKVNQKV-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.56
Rot. Bonds4

About 3-cyclopentylpentan-3-ylcyclohexane

3-cyclopentylpentan-3-ylcyclohexane (PubChem CID 91156849) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3-cyclopentylpentan-3-ylcyclohexane.

Molecular Properties

Compound Name3-cyclopentylpentan-3-ylcyclohexane
PubChem CID91156849
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3-cyclopentylpentan-3-ylcyclohexane
SMILESCCC(CC)(C1CCCCC1)C1CCCC1
InChIInChI=1S/C16H30/c1-3-16(4-2,15-12-8-9-13-15)14-10-6-5-7-11-14/h14-15H,3-13H2,1-2H3
InChIKeyYJWFVKJMKVNQKV-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpentan-3-ylcyclohexane?
The IUPAC name of 3-cyclopentylpentan-3-ylcyclohexane (CID 91156849) is 3-cyclopentylpentan-3-ylcyclohexane.
What is the SMILES notation for 3-cyclopentylpentan-3-ylcyclohexane?
The canonical SMILES for 3-cyclopentylpentan-3-ylcyclohexane is CCC(CC)(C1CCCCC1)C1CCCC1.
What is the InChIKey of 3-cyclopentylpentan-3-ylcyclohexane?
The InChIKey is YJWFVKJMKVNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-16(4-2,15-12-8-9-13-15)14-10-6-5-7-11-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-cyclopentylpentan-3-ylcyclohexane?
3-cyclopentylpentan-3-ylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpentan-3-ylcyclohexane is sourced from PubChem (CID 91156849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).