(10E)-1-oxacyclotridec-10-en-2-one

C12H20O2 — CID 14539994

IUPAC(10E)-1-oxacyclotridec-10-en-2-one
SMILESO=C1CCCCCCC/C=C/CCO1
InChIInChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5+
InChIKeyFZKPUQQWULXMCD-FNORWQNLSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds

About (10E)-1-oxacyclotridec-10-en-2-one

(10E)-1-oxacyclotridec-10-en-2-one (PubChem CID 14539994) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (10E)-1-oxacyclotridec-10-en-2-one.

Molecular Properties

Compound Name(10E)-1-oxacyclotridec-10-en-2-one
PubChem CID14539994
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(10E)-1-oxacyclotridec-10-en-2-one
SMILESO=C1CCCCCCC/C=C/CCO1
InChIInChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5+
InChIKeyFZKPUQQWULXMCD-FNORWQNLSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
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

1-oxacyclododec-9-en-2-one
CID 86140369
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
1-oxacyclohexadec-10-en-2-one
CID 72833343
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282
1-oxacycloundec-6-en-2-one
CID 77491444
(12E)-1,6-dioxacycloheptadec-12-en-7-one
CID 70037040

Frequently Asked Questions

What is the IUPAC name of (10E)-1-oxacyclotridec-10-en-2-one?
The IUPAC name of (10E)-1-oxacyclotridec-10-en-2-one (CID 14539994) is (10E)-1-oxacyclotridec-10-en-2-one.
What is the SMILES notation for (10E)-1-oxacyclotridec-10-en-2-one?
The canonical SMILES for (10E)-1-oxacyclotridec-10-en-2-one is O=C1CCCCCCC/C=C/CCO1.
What is the InChIKey of (10E)-1-oxacyclotridec-10-en-2-one?
The InChIKey is FZKPUQQWULXMCD-FNORWQNLSA-N. The full InChI is InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5+.
What are the key properties of (10E)-1-oxacyclotridec-10-en-2-one?
(10E)-1-oxacyclotridec-10-en-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-1-oxacyclotridec-10-en-2-one is sourced from PubChem (CID 14539994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).