3-dec-9-enyloxetan-2-one

C13H22O2 — CID 59857935

IUPAC3-dec-9-enyloxetan-2-one
SMILESC=CCCCCCCCCC1COC1=O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-15-13(12)14/h2,12H,1,3-11H2
InChIKeyVZEYHTZGFQODFN-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.47
Rot. Bonds9

About 3-dec-9-enyloxetan-2-one

3-dec-9-enyloxetan-2-one (PubChem CID 59857935) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-dec-9-enyloxetan-2-one.

Molecular Properties

Compound Name3-dec-9-enyloxetan-2-one
PubChem CID59857935
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-dec-9-enyloxetan-2-one
SMILESC=CCCCCCCCCC1COC1=O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-15-13(12)14/h2,12H,1,3-11H2
InChIKeyVZEYHTZGFQODFN-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.47
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

(3S,4S)-3-non-8-enyl-4-propyl-oxetan-2-one
CID 86576803
Diethyl 2-(undecylenyl)malonate
CID 19738367
9-Decenoic acid, 2,4-dimethyl-, methyl ester, (2S,4R)-(+)-
CID 560343
Diethyl (5-hexenyl)malonate
CID 10933663
Dimethyl 2-hex-5-enylpropanedioate
CID 14248108
9-Decenoic acid, 2,4-dimethyl-, methyl ester, (R,R)-(-)-
CID 22214889
(4R)-4-dec-9-enyloxetan-2-one
CID 10584585
(4S)-4-dec-9-enyloxetan-2-one
CID 11424361
Methyl 2-ethenyldodecanoate
CID 12739559
Ethyl 3-ethenylundecanoate
CID 13683590
4-Dec-9-enyloxetan-2-one
CID 15467449
Ethyl 2-acetyltridec-12-enoate
CID 15643676

Frequently Asked Questions

What is the IUPAC name of 3-dec-9-enyloxetan-2-one?
The IUPAC name of 3-dec-9-enyloxetan-2-one (CID 59857935) is 3-dec-9-enyloxetan-2-one.
What is the SMILES notation for 3-dec-9-enyloxetan-2-one?
The canonical SMILES for 3-dec-9-enyloxetan-2-one is C=CCCCCCCCCC1COC1=O.
What is the InChIKey of 3-dec-9-enyloxetan-2-one?
The InChIKey is VZEYHTZGFQODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-15-13(12)14/h2,12H,1,3-11H2.
What are the key properties of 3-dec-9-enyloxetan-2-one?
3-dec-9-enyloxetan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-9-enyloxetan-2-one is sourced from PubChem (CID 59857935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).