5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one

C19H30O3 — CID 85108162

IUPAC5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one
SMILESCC=CCCCCCCCCC(=O)C1=C(C)CC(C)OC1=O
InChIInChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h4-5,16H,6-14H2,1-3H3
InChIKeyLDTOSUNDGREUIH-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.90
Rot. Bonds10

About 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one

5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one (PubChem CID 85108162) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one
PubChem CID85108162
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one
SMILESCC=CCCCCCCCCC(=O)C1=C(C)CC(C)OC1=O
InChIInChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h4-5,16H,6-14H2,1-3H3
InChIKeyLDTOSUNDGREUIH-UHFFFAOYSA-N
XLogP4.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
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_4', 'substructure': 'N/A'}

Analyze 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-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 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one (CID 85108162) is 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one is CC=CCCCCCCCCC(=O)C1=C(C)CC(C)OC1=O.
What is the InChIKey of 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is LDTOSUNDGREUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h4-5,16H,6-14H2,1-3H3.
What are the key properties of 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one?
5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 306.45 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodec-10-enoyl-2,4-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 85108162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).