(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one

C15H24O2 — CID 134967499

IUPAC(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one
SMILESO=C1/C=C/C=C/CCCCCCCCCCO1
InChIInChI=1S/C15H24O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h7,9,11,13H,1-6,8,10,12,14H2/b9-7+,13-11+
InChIKeyMWCAFWJGCKXKHG-PTSVWTKZSA-N
MW236.35 g/mol
LogP4.17
Rot. Bonds

About (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one

(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one (PubChem CID 134967499) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one
PubChem CID134967499
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one
SMILESO=C1/C=C/C=C/CCCCCCCCCCO1
InChIInChI=1S/C15H24O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h7,9,11,13H,1-6,8,10,12,14H2/b9-7+,13-11+
InChIKeyMWCAFWJGCKXKHG-PTSVWTKZSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one
CID 143960965
(3Z,16E)-1,6-dioxacyclohexacosa-3,16-diene-2,5-dione
CID 102085318
(3E,8Z)-1-oxacycloheptadeca-3,8-dien-2-one
CID 23259748
1,6-dioxacyclotetracos-3-ene-2,5-dione
CID 154091712
(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
CID 144676209
cyclohexadeca-2,4-dien-1-one
CID 154444863
1-oxacyclononadeca-10,12,14-triene-2,5-dione
CID 90766571
(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
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one?
The IUPAC name of (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one (CID 134967499) is (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one.
What is the SMILES notation for (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one?
The canonical SMILES for (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one is O=C1/C=C/C=C/CCCCCCCCCCO1.
What is the InChIKey of (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one?
The InChIKey is MWCAFWJGCKXKHG-PTSVWTKZSA-N. The full InChI is InChI=1S/C15H24O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h7,9,11,13H,1-6,8,10,12,14H2/b9-7+,13-11+.
What are the key properties of (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one?
(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one has a molecular weight of 236.35 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one is sourced from PubChem (CID 134967499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).