2-[(E)-hex-1-enyl]oxan-3-one

C11H18O2 — CID 10965158

IUPAC2-[(E)-hex-1-enyl]oxan-3-one
SMILESCCCC/C=C/C1OCCCC1=O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-8-11-10(12)7-6-9-13-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyNGPUPTIFATUCHF-VMPITWQZSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds4

About 2-[(E)-hex-1-enyl]oxan-3-one

2-[(E)-hex-1-enyl]oxan-3-one (PubChem CID 10965158) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]oxan-3-one.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]oxan-3-one
PubChem CID10965158
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(E)-hex-1-enyl]oxan-3-one
SMILESCCCC/C=C/C1OCCCC1=O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-8-11-10(12)7-6-9-13-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyNGPUPTIFATUCHF-VMPITWQZSA-N
XLogP2.48
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 ≤ 52.48
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'}

Analyze 2-[(E)-hex-1-enyl]oxan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Oxabicyclo(3.3.1)non-6-en-2-one
CID 557027
8-Oxabicyclo[3.2.1]oct-6-en-2-one
CID 66846074
2-[(E)-dec-1-enyl]oxan-4-one
CID 11218643
2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 15535735
(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 130764589
1-Cyclohex-2-en-1-yloxypropan-2-one
CID 13618029
9-Oxabicyclo(3.3.1)non-6-en-2-one, (1R)-
CID 130995371
2-Methoxycyclohex-3-en-1-one
CID 22676884
1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 23352854
2-Cyclohex-2-en-1-yloxycyclohexan-1-one
CID 54003482
(2S,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-one
CID 57039736
(2S,4S,5S)-4-methoxy-5-methyl-2-[(E)-1-nonenyl]tetrahydro-2H-pyran-3-one
CID 67804486

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]oxan-3-one?
The IUPAC name of 2-[(E)-hex-1-enyl]oxan-3-one (CID 10965158) is 2-[(E)-hex-1-enyl]oxan-3-one.
What is the SMILES notation for 2-[(E)-hex-1-enyl]oxan-3-one?
The canonical SMILES for 2-[(E)-hex-1-enyl]oxan-3-one is CCCC/C=C/C1OCCCC1=O.
What is the InChIKey of 2-[(E)-hex-1-enyl]oxan-3-one?
The InChIKey is NGPUPTIFATUCHF-VMPITWQZSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-8-11-10(12)7-6-9-13-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+.
What are the key properties of 2-[(E)-hex-1-enyl]oxan-3-one?
2-[(E)-hex-1-enyl]oxan-3-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]oxan-3-one is sourced from PubChem (CID 10965158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).