3-cyclopentyl-3-hydroxypent-4-enal

C10H16O2 — CID 143183271

IUPAC3-cyclopentyl-3-hydroxypent-4-enal
SMILESC=CC(O)(CC=O)C1CCCC1
InChIInChI=1S/C10H16O2/c1-2-10(12,7-8-11)9-5-3-4-6-9/h2,8-9,12H,1,3-7H2
InChIKeyGGANDZBOWGKMIR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds4

About 3-cyclopentyl-3-hydroxypent-4-enal

3-cyclopentyl-3-hydroxypent-4-enal (PubChem CID 143183271) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclopentyl-3-hydroxypent-4-enal.

Molecular Properties

Compound Name3-cyclopentyl-3-hydroxypent-4-enal
PubChem CID143183271
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-cyclopentyl-3-hydroxypent-4-enal
SMILESC=CC(O)(CC=O)C1CCCC1
InChIInChI=1S/C10H16O2/c1-2-10(12,7-8-11)9-5-3-4-6-9/h2,8-9,12H,1,3-7H2
InChIKeyGGANDZBOWGKMIR-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-cyclopentyl-3-hydroxypent-4-enal?
The IUPAC name of 3-cyclopentyl-3-hydroxypent-4-enal (CID 143183271) is 3-cyclopentyl-3-hydroxypent-4-enal.
What is the SMILES notation for 3-cyclopentyl-3-hydroxypent-4-enal?
The canonical SMILES for 3-cyclopentyl-3-hydroxypent-4-enal is C=CC(O)(CC=O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-hydroxypent-4-enal?
The InChIKey is GGANDZBOWGKMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-10(12,7-8-11)9-5-3-4-6-9/h2,8-9,12H,1,3-7H2.
What are the key properties of 3-cyclopentyl-3-hydroxypent-4-enal?
3-cyclopentyl-3-hydroxypent-4-enal has a molecular weight of 168.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-hydroxypent-4-enal is sourced from PubChem (CID 143183271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).