(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one

C16H26O2 — CID 171904779

IUPAC(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
SMILESO=C1CCCC/C=C\CC/C=C\CCCCCO1
InChIInChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h3-6H,1-2,7-15H2/b5-3-,6-4-
InChIKeyKQWLFSXJHJNQSD-GLIMQPGKSA-N
MW250.38 g/mol
LogP4.56
Rot. Bonds

About (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one

(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one (PubChem CID 171904779) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one.

Molecular Properties

Compound Name(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
PubChem CID171904779
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
SMILESO=C1CCCC/C=C\CC/C=C\CCCCCO1
InChIInChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h3-6H,1-2,7-15H2/b5-3-,6-4-
InChIKeyKQWLFSXJHJNQSD-GLIMQPGKSA-N
XLogP4.56
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 ≤ 54.56
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 (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one?
The IUPAC name of (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one (CID 171904779) is (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one.
What is the SMILES notation for (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one?
The canonical SMILES for (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one is O=C1CCCC/C=C\CC/C=C\CCCCCO1.
What is the InChIKey of (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one?
The InChIKey is KQWLFSXJHJNQSD-GLIMQPGKSA-N. The full InChI is InChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h3-6H,1-2,7-15H2/b5-3-,6-4-.
What are the key properties of (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one?
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one is sourced from PubChem (CID 171904779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).