2-pent-4-enyloxetan-3-one

C8H12O2 — CID 46863014

IUPAC2-pent-4-enyloxetan-3-one
SMILESC=CCCCC1OCC1=O
InChIInChI=1S/C8H12O2/c1-2-3-4-5-8-7(9)6-10-8/h2,8H,1,3-6H2
InChIKeyJZMBAPCVPGIADO-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds4

About 2-pent-4-enyloxetan-3-one

2-pent-4-enyloxetan-3-one (PubChem CID 46863014) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-pent-4-enyloxetan-3-one.

Molecular Properties

Compound Name2-pent-4-enyloxetan-3-one
PubChem CID46863014
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-pent-4-enyloxetan-3-one
SMILESC=CCCCC1OCC1=O
InChIInChI=1S/C8H12O2/c1-2-3-4-5-8-7(9)6-10-8/h2,8H,1,3-6H2
InChIKeyJZMBAPCVPGIADO-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
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

1-(Oxolan-2-yl)pent-4-en-1-one
CID 12704401
3-Methoxyoct-7-en-2-one
CID 11019112
3-Propan-2-yloxyoct-7-en-2-one
CID 15415823
2-Prop-2-enyloxocan-3-one
CID 130030905
2-Pent-4-enyloxolan-3-one
CID 145994577
1-Methoxyoct-7-ene-2,4-dione
CID 14987394
1-(Oxolan-2-yl)but-3-en-1-one
CID 65330954
1-[(2R)-oxan-2-yl]pent-4-en-1-one
CID 89049858
1-[(2S)-tetrahydrofuran-2-yl]but-3-en-1-one
CID 90238443
6-Prop-2-enyloxan-3-one
CID 135127518
(6R)-6-prop-2-enyloxan-3-one
CID 135127566
1-Methoxyoct-7-en-2-one
CID 55269292

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enyloxetan-3-one?
The IUPAC name of 2-pent-4-enyloxetan-3-one (CID 46863014) is 2-pent-4-enyloxetan-3-one.
What is the SMILES notation for 2-pent-4-enyloxetan-3-one?
The canonical SMILES for 2-pent-4-enyloxetan-3-one is C=CCCCC1OCC1=O.
What is the InChIKey of 2-pent-4-enyloxetan-3-one?
The InChIKey is JZMBAPCVPGIADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-4-5-8-7(9)6-10-8/h2,8H,1,3-6H2.
What are the key properties of 2-pent-4-enyloxetan-3-one?
2-pent-4-enyloxetan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyloxetan-3-one is sourced from PubChem (CID 46863014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).