(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one

C16H26O2 — CID 88616788

IUPAC(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one
SMILESCC1C/C=C/CCCC/C=C/CC(=O)OCCC1
InChIInChI=1S/C16H26O2/c1-15-11-8-6-4-2-3-5-7-9-13-16(17)18-14-10-12-15/h6-9,15H,2-5,10-14H2,1H3/b8-6+,9-7+
InChIKeyUIERNLMCLNWNGZ-CDJQDVQCSA-N
MW250.38 g/mol
LogP4.41
Rot. Bonds

About (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one

(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one (PubChem CID 88616788) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one.

Molecular Properties

Compound Name(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one
PubChem CID88616788
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one
SMILESCC1C/C=C/CCCC/C=C/CC(=O)OCCC1
InChIInChI=1S/C16H26O2/c1-15-11-8-6-4-2-3-5-7-9-13-16(17)18-14-10-12-15/h6-9,15H,2-5,10-14H2,1H3/b8-6+,9-7+
InChIKeyUIERNLMCLNWNGZ-CDJQDVQCSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one?
The IUPAC name of (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one (CID 88616788) is (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one.
What is the SMILES notation for (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one?
The canonical SMILES for (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one is CC1C/C=C/CCCC/C=C/CC(=O)OCCC1.
What is the InChIKey of (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one?
The InChIKey is UIERNLMCLNWNGZ-CDJQDVQCSA-N. The full InChI is InChI=1S/C16H26O2/c1-15-11-8-6-4-2-3-5-7-9-13-16(17)18-14-10-12-15/h6-9,15H,2-5,10-14H2,1H3/b8-6+,9-7+.
What are the key properties of (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one?
(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one is sourced from PubChem (CID 88616788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).