5-cyclopentyl-4-methylpent-4-enal

C11H18O — CID 78076892

IUPAC5-cyclopentyl-4-methylpent-4-enal
SMILESCC(=CC1CCCC1)CCC=O
InChIInChI=1S/C11H18O/c1-10(5-4-8-12)9-11-6-2-3-7-11/h8-9,11H,2-7H2,1H3
InChIKeyNTCLXETVLCZJBS-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds4

About 5-cyclopentyl-4-methylpent-4-enal

5-cyclopentyl-4-methylpent-4-enal (PubChem CID 78076892) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-cyclopentyl-4-methylpent-4-enal.

Molecular Properties

Compound Name5-cyclopentyl-4-methylpent-4-enal
PubChem CID78076892
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-cyclopentyl-4-methylpent-4-enal
SMILESCC(=CC1CCCC1)CCC=O
InChIInChI=1S/C11H18O/c1-10(5-4-8-12)9-11-6-2-3-7-11/h8-9,11H,2-7H2,1H3
InChIKeyNTCLXETVLCZJBS-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-methylpent-4-enal?
The IUPAC name of 5-cyclopentyl-4-methylpent-4-enal (CID 78076892) is 5-cyclopentyl-4-methylpent-4-enal.
What is the SMILES notation for 5-cyclopentyl-4-methylpent-4-enal?
The canonical SMILES for 5-cyclopentyl-4-methylpent-4-enal is CC(=CC1CCCC1)CCC=O.
What is the InChIKey of 5-cyclopentyl-4-methylpent-4-enal?
The InChIKey is NTCLXETVLCZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(5-4-8-12)9-11-6-2-3-7-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 5-cyclopentyl-4-methylpent-4-enal?
5-cyclopentyl-4-methylpent-4-enal has a molecular weight of 166.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-methylpent-4-enal is sourced from PubChem (CID 78076892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).