pentylcyclohexane

C11H22 — CID 20284

IUPACpentylcyclohexane
SMILESCCCCCC1CCCCC1
InChIInChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3
InChIKeyHLTMUYBTNSVOFY-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.15
Rot. Bonds4

About pentylcyclohexane

pentylcyclohexane (PubChem CID 20284) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is pentylcyclohexane.

Molecular Properties

Compound Namepentylcyclohexane
PubChem CID20284
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namepentylcyclohexane
SMILESCCCCCC1CCCCC1
InChIInChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3
InChIKeyHLTMUYBTNSVOFY-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentylcyclohexane?
The IUPAC name of pentylcyclohexane (CID 20284) is pentylcyclohexane.
What is the SMILES notation for pentylcyclohexane?
The canonical SMILES for pentylcyclohexane is CCCCCC1CCCCC1.
What is the InChIKey of pentylcyclohexane?
The InChIKey is HLTMUYBTNSVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3.
What are the key properties of pentylcyclohexane?
pentylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylcyclohexane is sourced from PubChem (CID 20284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).