3-dodec-10-enoyl-4,6-dimethyloxan-2-one

C19H32O3 — CID 73407842

IUPAC3-dodec-10-enoyl-4,6-dimethyloxan-2-one
SMILESCC=CCCCCCCCCC(=O)C1C(=O)OC(C)CC1C
InChIInChI=1S/C19H32O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h4-5,15-16,18H,6-14H2,1-3H3
InChIKeyIWYMSCITVORDAJ-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.84
Rot. Bonds10

About 3-dodec-10-enoyl-4,6-dimethyloxan-2-one

3-dodec-10-enoyl-4,6-dimethyloxan-2-one (PubChem CID 73407842) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 3-dodec-10-enoyl-4,6-dimethyloxan-2-one.

Molecular Properties

Compound Name3-dodec-10-enoyl-4,6-dimethyloxan-2-one
PubChem CID73407842
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name3-dodec-10-enoyl-4,6-dimethyloxan-2-one
SMILESCC=CCCCCCCCCC(=O)C1C(=O)OC(C)CC1C
InChIInChI=1S/C19H32O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h4-5,15-16,18H,6-14H2,1-3H3
InChIKeyIWYMSCITVORDAJ-UHFFFAOYSA-N
XLogP4.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dodec-10-enoyl-4,6-dimethyloxan-2-one?
The IUPAC name of 3-dodec-10-enoyl-4,6-dimethyloxan-2-one (CID 73407842) is 3-dodec-10-enoyl-4,6-dimethyloxan-2-one.
What is the SMILES notation for 3-dodec-10-enoyl-4,6-dimethyloxan-2-one?
The canonical SMILES for 3-dodec-10-enoyl-4,6-dimethyloxan-2-one is CC=CCCCCCCCCC(=O)C1C(=O)OC(C)CC1C.
What is the InChIKey of 3-dodec-10-enoyl-4,6-dimethyloxan-2-one?
The InChIKey is IWYMSCITVORDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h4-5,15-16,18H,6-14H2,1-3H3.
What are the key properties of 3-dodec-10-enoyl-4,6-dimethyloxan-2-one?
3-dodec-10-enoyl-4,6-dimethyloxan-2-one has a molecular weight of 308.46 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodec-10-enoyl-4,6-dimethyloxan-2-one is sourced from PubChem (CID 73407842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).