(6E)-1-oxacyclohexadec-6-en-2-one

C15H26O2 — CID 67592282

IUPAC(6E)-1-oxacyclohexadec-6-en-2-one
SMILESO=C1CCC/C=C/CCCCCCCCCO1
InChIInChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h5,7H,1-4,6,8-14H2/b7-5+
InChIKeyLMIKHPLIFJPZEO-FNORWQNLSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds

About (6E)-1-oxacyclohexadec-6-en-2-one

(6E)-1-oxacyclohexadec-6-en-2-one (PubChem CID 67592282) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6E)-1-oxacyclohexadec-6-en-2-one.

Molecular Properties

Compound Name(6E)-1-oxacyclohexadec-6-en-2-one
PubChem CID67592282
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6E)-1-oxacyclohexadec-6-en-2-one
SMILESO=C1CCC/C=C/CCCCCCCCCO1
InChIInChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h5,7H,1-4,6,8-14H2/b7-5+
InChIKeyLMIKHPLIFJPZEO-FNORWQNLSA-N
XLogP4.39
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 ≤ 54.39
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 (6E)-1-oxacyclohexadec-6-en-2-one?
The IUPAC name of (6E)-1-oxacyclohexadec-6-en-2-one (CID 67592282) is (6E)-1-oxacyclohexadec-6-en-2-one.
What is the SMILES notation for (6E)-1-oxacyclohexadec-6-en-2-one?
The canonical SMILES for (6E)-1-oxacyclohexadec-6-en-2-one is O=C1CCC/C=C/CCCCCCCCCO1.
What is the InChIKey of (6E)-1-oxacyclohexadec-6-en-2-one?
The InChIKey is LMIKHPLIFJPZEO-FNORWQNLSA-N. The full InChI is InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h5,7H,1-4,6,8-14H2/b7-5+.
What are the key properties of (6E)-1-oxacyclohexadec-6-en-2-one?
(6E)-1-oxacyclohexadec-6-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-oxacyclohexadec-6-en-2-one is sourced from PubChem (CID 67592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).