(7E)-1-oxacyclohexadec-7-en-3-one

C15H26O2 — CID 10705115

IUPAC(7E)-1-oxacyclohexadec-7-en-3-one
SMILESO=C1CCC/C=C/CCCCCCCCOC1
InChIInChI=1S/C15H26O2/c16-15-12-10-8-6-4-2-1-3-5-7-9-11-13-17-14-15/h4,6H,1-3,5,7-14H2/b6-4+
InChIKeyBQCDCDZSTZVLGR-GQCTYLIASA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds

About (7E)-1-oxacyclohexadec-7-en-3-one

(7E)-1-oxacyclohexadec-7-en-3-one (PubChem CID 10705115) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (7E)-1-oxacyclohexadec-7-en-3-one.

Molecular Properties

Compound Name(7E)-1-oxacyclohexadec-7-en-3-one
PubChem CID10705115
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(7E)-1-oxacyclohexadec-7-en-3-one
SMILESO=C1CCC/C=C/CCCCCCCCOC1
InChIInChI=1S/C15H26O2/c16-15-12-10-8-6-4-2-1-3-5-7-9-11-13-17-14-15/h4,6H,1-3,5,7-14H2/b6-4+
InChIKeyBQCDCDZSTZVLGR-GQCTYLIASA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
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 (7E)-1-oxacyclohexadec-7-en-3-one?
The IUPAC name of (7E)-1-oxacyclohexadec-7-en-3-one (CID 10705115) is (7E)-1-oxacyclohexadec-7-en-3-one.
What is the SMILES notation for (7E)-1-oxacyclohexadec-7-en-3-one?
The canonical SMILES for (7E)-1-oxacyclohexadec-7-en-3-one is O=C1CCC/C=C/CCCCCCCCOC1.
What is the InChIKey of (7E)-1-oxacyclohexadec-7-en-3-one?
The InChIKey is BQCDCDZSTZVLGR-GQCTYLIASA-N. The full InChI is InChI=1S/C15H26O2/c16-15-12-10-8-6-4-2-1-3-5-7-9-11-13-17-14-15/h4,6H,1-3,5,7-14H2/b6-4+.
What are the key properties of (7E)-1-oxacyclohexadec-7-en-3-one?
(7E)-1-oxacyclohexadec-7-en-3-one has a molecular weight of 238.37 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-oxacyclohexadec-7-en-3-one is sourced from PubChem (CID 10705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).