3-[(E)-pent-3-enyl]oxan-2-one

C10H16O2 — CID 87458260

IUPAC3-[(E)-pent-3-enyl]oxan-2-one
SMILESC/C=C/CCC1CCCOC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyGIOKOYZBZGMQHE-NSCUHMNNSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

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

3-[(E)-pent-3-enyl]oxan-2-one (PubChem CID 87458260) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(E)-pent-3-enyl]oxan-2-one.

Molecular Properties

Compound Name3-[(E)-pent-3-enyl]oxan-2-one
PubChem CID87458260
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-[(E)-pent-3-enyl]oxan-2-one
SMILESC/C=C/CCC1CCCOC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyGIOKOYZBZGMQHE-NSCUHMNNSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3Z)-undeca-3,9-dienyl]oxan-2-one
CID 68621986
3-butyloxan-2-one;ethane
CID 142135562
3-[(Z)-pent-2-enyl]oxan-2-one
CID 67243802
3-ethyloxepan-2-one
CID 22116783
3-(3-pentoxypropyl)oxan-2-one
CID 143079835
6-but-3-enyl-1,4-dioxecane-5,10-dione
CID 67122890
3-[3-(4-butylphenyl)propyl]oxan-2-one
CID 21247976
3-[(3R)-2-oxooxepan-3-yl]propanenitrile
CID 132544604
3-propyl-1-oxacyclohexadec-7-en-2-one
CID 67424934
3-(2-nitroethyl)oxepan-2-one
CID 100967975
3-pent-4-enyloxolan-2-one
CID 139448427
(3S)-3-prop-2-ynyloxepan-2-one
CID 129410245

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-3-enyl]oxan-2-one?
The IUPAC name of 3-[(E)-pent-3-enyl]oxan-2-one (CID 87458260) is 3-[(E)-pent-3-enyl]oxan-2-one.
What is the SMILES notation for 3-[(E)-pent-3-enyl]oxan-2-one?
The canonical SMILES for 3-[(E)-pent-3-enyl]oxan-2-one is C/C=C/CCC1CCCOC1=O.
What is the InChIKey of 3-[(E)-pent-3-enyl]oxan-2-one?
The InChIKey is GIOKOYZBZGMQHE-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 3-[(E)-pent-3-enyl]oxan-2-one?
3-[(E)-pent-3-enyl]oxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-3-enyl]oxan-2-one is sourced from PubChem (CID 87458260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).