6-[(E)-hex-1-enyl]oxan-2-one

C11H18O2 — CID 14202325

IUPAC6-[(E)-hex-1-enyl]oxan-2-one
SMILESCCCC/C=C/C1CCCC(=O)O1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h5,7,10H,2-4,6,8-9H2,1H3/b7-5+
InChIKeyZUXLDWJHFXULGX-FNORWQNLSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About 6-[(E)-hex-1-enyl]oxan-2-one

6-[(E)-hex-1-enyl]oxan-2-one (PubChem CID 14202325) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-[(E)-hex-1-enyl]oxan-2-one.

Molecular Properties

Compound Name6-[(E)-hex-1-enyl]oxan-2-one
PubChem CID14202325
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-[(E)-hex-1-enyl]oxan-2-one
SMILESCCCC/C=C/C1CCCC(=O)O1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h5,7,10H,2-4,6,8-9H2,1H3/b7-5+
InChIKeyZUXLDWJHFXULGX-FNORWQNLSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Hexenyl hexanoate, (2E)-
CID 5352973
pent-2-Enyl hexanoate, (2Z)-
CID 5363141
Jasmine lactone
CID 5352626
2H-Pyran-2-one, tetrahydro-6-(2-penten-1-yl)-
CID 6438070
5-Hydroxy-8-undecenoic acid delta-lactone, (8Z)-
CID 20846226
Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
CID 118178
8-Decen-5-olide
CID 6438319
5-Hydroxyeicosatetraenoic acid lactone
CID 6439592
6-(4-Hepten-1-yl)tetrahydro-2H-pyran-2-one
CID 78122470
9-Tetradecen-5-olide
CID 121237820
(Z)-Hex-2-enyl hexanoate
CID 6436647
9-Dodecen-5-olide, (9E)-
CID 71587972

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hex-1-enyl]oxan-2-one?
The IUPAC name of 6-[(E)-hex-1-enyl]oxan-2-one (CID 14202325) is 6-[(E)-hex-1-enyl]oxan-2-one.
What is the SMILES notation for 6-[(E)-hex-1-enyl]oxan-2-one?
The canonical SMILES for 6-[(E)-hex-1-enyl]oxan-2-one is CCCC/C=C/C1CCCC(=O)O1.
What is the InChIKey of 6-[(E)-hex-1-enyl]oxan-2-one?
The InChIKey is ZUXLDWJHFXULGX-FNORWQNLSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h5,7,10H,2-4,6,8-9H2,1H3/b7-5+.
What are the key properties of 6-[(E)-hex-1-enyl]oxan-2-one?
6-[(E)-hex-1-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-[(E)-hex-1-enyl]oxan-2-one is sourced from PubChem (CID 14202325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).