(3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one

C17H26O3 — CID 5318618

IUPAC(3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one
SMILESC=CCCCCCCCCC/C=C1/C(=O)OC(=C)[C@H]1O
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h3,13,16,18H,1-2,4-12H2/b15-13+/t16-/m1/s1
InChIKeyOFUXNQJZVMQBJO-QJPKHSJYSA-N
MW278.39 g/mol
LogP4.04
Rot. Bonds10

About (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one

(3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one (PubChem CID 5318618) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one.

Molecular Properties

Compound Name(3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one
PubChem CID5318618
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one
SMILESC=CCCCCCCCCC/C=C1/C(=O)OC(=C)[C@H]1O
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h3,13,16,18H,1-2,4-12H2/b15-13+/t16-/m1/s1
InChIKeyOFUXNQJZVMQBJO-QJPKHSJYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one?
The IUPAC name of (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one (CID 5318618) is (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one.
What is the SMILES notation for (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one?
The canonical SMILES for (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one is C=CCCCCCCCCC/C=C1/C(=O)OC(=C)[C@H]1O.
What is the InChIKey of (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one?
The InChIKey is OFUXNQJZVMQBJO-QJPKHSJYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h3,13,16,18H,1-2,4-12H2/b15-13+/t16-/m1/s1.
What are the key properties of (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one?
(3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one has a molecular weight of 278.39 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one is sourced from PubChem (CID 5318618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).