(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one

C10H14O2 — CID 143960965

IUPAC(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one
SMILESO=C1/C=C\C=C/CCCCCO1
InChIInChI=1S/C10H14O2/c11-10-8-6-4-2-1-3-5-7-9-12-10/h2,4,6,8H,1,3,5,7,9H2/b4-2-,8-6-
InChIKeyCJFKIACJPKZUHS-ZCWSXEOGSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds

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

(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one (PubChem CID 143960965) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one
PubChem CID143960965
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one
SMILESO=C1/C=C\C=C/CCCCCO1
InChIInChI=1S/C10H14O2/c11-10-8-6-4-2-1-3-5-7-9-12-10/h2,4,6,8H,1,3,5,7,9H2/b4-2-,8-6-
InChIKeyCJFKIACJPKZUHS-ZCWSXEOGSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134967499
(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
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(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
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one?
The IUPAC name of (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one (CID 143960965) is (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one.
What is the SMILES notation for (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one?
The canonical SMILES for (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one is O=C1/C=C\C=C/CCCCCO1.
What is the InChIKey of (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one?
The InChIKey is CJFKIACJPKZUHS-ZCWSXEOGSA-N. The full InChI is InChI=1S/C10H14O2/c11-10-8-6-4-2-1-3-5-7-9-12-10/h2,4,6,8H,1,3,5,7,9H2/b4-2-,8-6-.
What are the key properties of (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one?
(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one is sourced from PubChem (CID 143960965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).