5-cyclopentyl-4-methylpenta-2,4-dienal

C11H16O — CID 123537453

IUPAC5-cyclopentyl-4-methylpenta-2,4-dienal
SMILESCC(C=CC=O)=CC1CCCC1
InChIInChI=1S/C11H16O/c1-10(5-4-8-12)9-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyDLNAPZUJWSAPAF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds3

About 5-cyclopentyl-4-methylpenta-2,4-dienal

5-cyclopentyl-4-methylpenta-2,4-dienal (PubChem CID 123537453) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-cyclopentyl-4-methylpenta-2,4-dienal.

Molecular Properties

Compound Name5-cyclopentyl-4-methylpenta-2,4-dienal
PubChem CID123537453
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-cyclopentyl-4-methylpenta-2,4-dienal
SMILESCC(C=CC=O)=CC1CCCC1
InChIInChI=1S/C11H16O/c1-10(5-4-8-12)9-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyDLNAPZUJWSAPAF-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-methylpenta-2,4-dienal?
The IUPAC name of 5-cyclopentyl-4-methylpenta-2,4-dienal (CID 123537453) is 5-cyclopentyl-4-methylpenta-2,4-dienal.
What is the SMILES notation for 5-cyclopentyl-4-methylpenta-2,4-dienal?
The canonical SMILES for 5-cyclopentyl-4-methylpenta-2,4-dienal is CC(C=CC=O)=CC1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-methylpenta-2,4-dienal?
The InChIKey is DLNAPZUJWSAPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-10(5-4-8-12)9-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 5-cyclopentyl-4-methylpenta-2,4-dienal?
5-cyclopentyl-4-methylpenta-2,4-dienal has a molecular weight of 164.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-methylpenta-2,4-dienal is sourced from PubChem (CID 123537453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).