(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one

C18H30O2 — CID 165161785

IUPAC(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one
SMILESCC1CCC/C=C\C/C=C\CCCCCCCC(=O)O1
InChIInChI=1S/C18H30O2/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(19)20-17/h2-3,7,9,17H,4-6,8,10-16H2,1H3/b3-2-,9-7-
InChIKeyOGNMURZUZCCCLW-YXRHTCTQSA-N
MW278.44 g/mol
LogP5.34
Rot. Bonds

About (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one

(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one (PubChem CID 165161785) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one.

Molecular Properties

Compound Name(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one
PubChem CID165161785
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one
SMILESCC1CCC/C=C\C/C=C\CCCCCCCC(=O)O1
InChIInChI=1S/C18H30O2/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(19)20-17/h2-3,7,9,17H,4-6,8,10-16H2,1H3/b3-2-,9-7-
InChIKeyOGNMURZUZCCCLW-YXRHTCTQSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.34
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 (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one?
The IUPAC name of (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one (CID 165161785) is (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one.
What is the SMILES notation for (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one?
The canonical SMILES for (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one is CC1CCC/C=C\C/C=C\CCCCCCCC(=O)O1.
What is the InChIKey of (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one?
The InChIKey is OGNMURZUZCCCLW-YXRHTCTQSA-N. The full InChI is InChI=1S/C18H30O2/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(19)20-17/h2-3,7,9,17H,4-6,8,10-16H2,1H3/b3-2-,9-7-.
What are the key properties of (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one?
(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one has a molecular weight of 278.44 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one is sourced from PubChem (CID 165161785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).