4-non-3-enyloxetan-2-one

C12H20O2 — CID 78148877

IUPAC4-non-3-enyloxetan-2-one
SMILESCCCCCC=CCCC1CC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-11-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3
InChIKeyVKCZZKMSKYKKQB-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds7

About 4-non-3-enyloxetan-2-one

4-non-3-enyloxetan-2-one (PubChem CID 78148877) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-non-3-enyloxetan-2-one.

Molecular Properties

Compound Name4-non-3-enyloxetan-2-one
PubChem CID78148877
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-non-3-enyloxetan-2-one
SMILESCCCCCC=CCCC1CC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-11-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3
InChIKeyVKCZZKMSKYKKQB-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyloxetan-2-one
CID 90110174
3-[(E)-henicos-10-enyl]oxolane-2,5-dione
CID 101277064
3-hexadec-4-enyloxolane-2,5-dione
CID 90097547
3-[(E)-docos-5-enyl]oxolane-2,5-dione
CID 101277078
2-[(E)-oct-3-enyl]oxirane
CID 58906870
4-(4-methylpent-3-enyl)oxetan-2-one
CID 87991853
4-(2-butoxyethyl)oxetan-2-one
CID 159363053
3-docos-2-enyloxolane-2,5-dione
CID 88737726
(4R)-4-ethyloxetan-2-one
CID 14325240
3-octadec-2-enylsulfanyloxolane-2,5-dione
CID 173338234
2-nonadec-10-enyloxirane
CID 54194145
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012

Frequently Asked Questions

What is the IUPAC name of 4-non-3-enyloxetan-2-one?
The IUPAC name of 4-non-3-enyloxetan-2-one (CID 78148877) is 4-non-3-enyloxetan-2-one.
What is the SMILES notation for 4-non-3-enyloxetan-2-one?
The canonical SMILES for 4-non-3-enyloxetan-2-one is CCCCCC=CCCC1CC(=O)O1.
What is the InChIKey of 4-non-3-enyloxetan-2-one?
The InChIKey is VKCZZKMSKYKKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-11-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 4-non-3-enyloxetan-2-one?
4-non-3-enyloxetan-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-non-3-enyloxetan-2-one is sourced from PubChem (CID 78148877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).