6-[(Z)-hex-3-enyl]oxan-2-one

C11H18O2 — CID 20846226

IUPAC6-[(Z)-hex-3-enyl]oxan-2-one
SMILESCC/C=C\CCC1CCCC(=O)O1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
InChIKeyUJHDFCVFLRPEJQ-ARJAWSKDSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About 6-[(Z)-hex-3-enyl]oxan-2-one

6-[(Z)-hex-3-enyl]oxan-2-one (PubChem CID 20846226) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-[(Z)-hex-3-enyl]oxan-2-one.

Molecular Properties

Compound Name6-[(Z)-hex-3-enyl]oxan-2-one
PubChem CID20846226
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-[(Z)-hex-3-enyl]oxan-2-one
SMILESCC/C=C\CCC1CCCC(=O)O1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
InChIKeyUJHDFCVFLRPEJQ-ARJAWSKDSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-hex-3-enyl]oxan-2-one?
The IUPAC name of 6-[(Z)-hex-3-enyl]oxan-2-one (CID 20846226) is 6-[(Z)-hex-3-enyl]oxan-2-one.
What is the SMILES notation for 6-[(Z)-hex-3-enyl]oxan-2-one?
The canonical SMILES for 6-[(Z)-hex-3-enyl]oxan-2-one is CC/C=C\CCC1CCCC(=O)O1.
What is the InChIKey of 6-[(Z)-hex-3-enyl]oxan-2-one?
The InChIKey is UJHDFCVFLRPEJQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-.
What are the key properties of 6-[(Z)-hex-3-enyl]oxan-2-one?
6-[(Z)-hex-3-enyl]oxan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-hex-3-enyl]oxan-2-one is sourced from PubChem (CID 20846226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).