(11Z)-1-oxacyclooctadec-11-en-2-one

C17H30O2 — CID 146509910

IUPAC(11Z)-1-oxacyclooctadec-11-en-2-one
SMILESO=C1CCCCCCCC/C=C\CCCCCCO1
InChIInChI=1S/C17H30O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-17/h2,4H,1,3,5-16H2/b4-2-
InChIKeyGXATWXQMOXOWSQ-RQOWECAXSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds

About (11Z)-1-oxacyclooctadec-11-en-2-one

(11Z)-1-oxacyclooctadec-11-en-2-one (PubChem CID 146509910) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (11Z)-1-oxacyclooctadec-11-en-2-one.

Molecular Properties

Compound Name(11Z)-1-oxacyclooctadec-11-en-2-one
PubChem CID146509910
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(11Z)-1-oxacyclooctadec-11-en-2-one
SMILESO=C1CCCCCCCC/C=C\CCCCCCO1
InChIInChI=1S/C17H30O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-17/h2,4H,1,3,5-16H2/b4-2-
InChIKeyGXATWXQMOXOWSQ-RQOWECAXSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
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 (11Z)-1-oxacyclooctadec-11-en-2-one?
The IUPAC name of (11Z)-1-oxacyclooctadec-11-en-2-one (CID 146509910) is (11Z)-1-oxacyclooctadec-11-en-2-one.
What is the SMILES notation for (11Z)-1-oxacyclooctadec-11-en-2-one?
The canonical SMILES for (11Z)-1-oxacyclooctadec-11-en-2-one is O=C1CCCCCCCC/C=C\CCCCCCO1.
What is the InChIKey of (11Z)-1-oxacyclooctadec-11-en-2-one?
The InChIKey is GXATWXQMOXOWSQ-RQOWECAXSA-N. The full InChI is InChI=1S/C17H30O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-17/h2,4H,1,3,5-16H2/b4-2-.
What are the key properties of (11Z)-1-oxacyclooctadec-11-en-2-one?
(11Z)-1-oxacyclooctadec-11-en-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-1-oxacyclooctadec-11-en-2-one is sourced from PubChem (CID 146509910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).