(3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one

C16H26O2 — CID 23259748

IUPAC(3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one
SMILESO=C1/C=C/CCC/C=C\CCCCCCCCO1
InChIInChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4,12,14H,1,3,5-11,13,15H2/b4-2-,14-12+
InChIKeyQHRALOXNXBDSJP-ZYZSZBPWSA-N
MW250.38 g/mol
LogP4.56
Rot. Bonds

About (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one

(3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one (PubChem CID 23259748) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one.

Molecular Properties

Compound Name(3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one
PubChem CID23259748
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one
SMILESO=C1/C=C/CCC/C=C\CCCCCCCCO1
InChIInChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4,12,14H,1,3,5-11,13,15H2/b4-2-,14-12+
InChIKeyQHRALOXNXBDSJP-ZYZSZBPWSA-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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Related Compounds

(3Z,16E)-1,6-dioxacyclohexacosa-3,16-diene-2,5-dione
CID 102085318
(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one
CID 134967499
(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one
CID 143960965
1,6-dioxacyclotetracos-3-ene-2,5-dione
CID 154091712
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclohexadec-10-en-2-one
CID 72833343
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282

Frequently Asked Questions

What is the IUPAC name of (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one?
The IUPAC name of (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one (CID 23259748) is (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one.
What is the SMILES notation for (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one?
The canonical SMILES for (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one is O=C1/C=C/CCC/C=C\CCCCCCCCO1.
What is the InChIKey of (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one?
The InChIKey is QHRALOXNXBDSJP-ZYZSZBPWSA-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/h2,4,12,14H,1,3,5-11,13,15H2/b4-2-,14-12+.
What are the key properties of (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one?
(3E,8Z)-1-oxacycloheptadeca-3,8-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 (3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one is sourced from PubChem (CID 23259748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).