3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one

C13H22O2 — CID 70378601

IUPAC3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one
SMILESCCCCCC(O)/C=C\C1CCC(=O)C1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-12(14)8-6-11-7-9-13(15)10-11/h6,8,11-12,14H,2-5,7,9-10H2,1H3/b8-6-
InChIKeyCIIOUGJFCJYXTH-VURMDHGXSA-N
MW210.32 g/mol
LogP2.85
Rot. Bonds6

About 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one

3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one (PubChem CID 70378601) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one
PubChem CID70378601
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one
SMILESCCCCCC(O)/C=C\C1CCC(=O)C1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-12(14)8-6-11-7-9-13(15)10-11/h6,8,11-12,14H,2-5,7,9-10H2,1H3/b8-6-
InChIKeyCIIOUGJFCJYXTH-VURMDHGXSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
The IUPAC name of 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one (CID 70378601) is 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
The canonical SMILES for 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one is CCCCCC(O)/C=C\C1CCC(=O)C1.
What is the InChIKey of 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
The InChIKey is CIIOUGJFCJYXTH-VURMDHGXSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-12(14)8-6-11-7-9-13(15)10-11/h6,8,11-12,14H,2-5,7,9-10H2,1H3/b8-6-.
What are the key properties of 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 70378601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).