(4S)-4-dec-9-enyloxetan-2-one

C13H22O2 — CID 11424361

IUPAC(4S)-4-dec-9-enyloxetan-2-one
SMILESC=CCCCCCCCC[C@H]1CC(=O)O1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-13(14)15-12/h2,12H,1,3-11H2/t12-/m0/s1
InChIKeyNBKQQXXPACKNPH-LBPRGKRZSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds9

About (4S)-4-dec-9-enyloxetan-2-one

(4S)-4-dec-9-enyloxetan-2-one (PubChem CID 11424361) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4S)-4-dec-9-enyloxetan-2-one.

Molecular Properties

Compound Name(4S)-4-dec-9-enyloxetan-2-one
PubChem CID11424361
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4S)-4-dec-9-enyloxetan-2-one
SMILESC=CCCCCCCCC[C@H]1CC(=O)O1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-13(14)15-12/h2,12H,1,3-11H2/t12-/m0/s1
InChIKeyNBKQQXXPACKNPH-LBPRGKRZSA-N
XLogP3.61
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 ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-dec-9-enyloxetan-2-one?
The IUPAC name of (4S)-4-dec-9-enyloxetan-2-one (CID 11424361) is (4S)-4-dec-9-enyloxetan-2-one.
What is the SMILES notation for (4S)-4-dec-9-enyloxetan-2-one?
The canonical SMILES for (4S)-4-dec-9-enyloxetan-2-one is C=CCCCCCCCC[C@H]1CC(=O)O1.
What is the InChIKey of (4S)-4-dec-9-enyloxetan-2-one?
The InChIKey is NBKQQXXPACKNPH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-13(14)15-12/h2,12H,1,3-11H2/t12-/m0/s1.
What are the key properties of (4S)-4-dec-9-enyloxetan-2-one?
(4S)-4-dec-9-enyloxetan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-dec-9-enyloxetan-2-one is sourced from PubChem (CID 11424361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).