(9Z)-1-oxacyclotetradec-9-en-2-one

C13H22O2 — CID 102124456

IUPAC(9Z)-1-oxacyclotetradec-9-en-2-one
SMILESO=C1CCCCCC/C=C\CCCCO1
InChIInChI=1S/C13H22O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h2,4H,1,3,5-12H2/b4-2-
InChIKeyWBRPOWBDMIBPFD-RQOWECAXSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds

About (9Z)-1-oxacyclotetradec-9-en-2-one

(9Z)-1-oxacyclotetradec-9-en-2-one (PubChem CID 102124456) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (9Z)-1-oxacyclotetradec-9-en-2-one.

Molecular Properties

Compound Name(9Z)-1-oxacyclotetradec-9-en-2-one
PubChem CID102124456
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(9Z)-1-oxacyclotetradec-9-en-2-one
SMILESO=C1CCCCCC/C=C\CCCCO1
InChIInChI=1S/C13H22O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h2,4H,1,3,5-12H2/b4-2-
InChIKeyWBRPOWBDMIBPFD-RQOWECAXSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.61
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

(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
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
1-oxacyclododec-9-en-2-one
CID 86140369
(10E)-1-oxacyclotridec-10-en-2-one
CID 14539994

Frequently Asked Questions

What is the IUPAC name of (9Z)-1-oxacyclotetradec-9-en-2-one?
The IUPAC name of (9Z)-1-oxacyclotetradec-9-en-2-one (CID 102124456) is (9Z)-1-oxacyclotetradec-9-en-2-one.
What is the SMILES notation for (9Z)-1-oxacyclotetradec-9-en-2-one?
The canonical SMILES for (9Z)-1-oxacyclotetradec-9-en-2-one is O=C1CCCCCC/C=C\CCCCO1.
What is the InChIKey of (9Z)-1-oxacyclotetradec-9-en-2-one?
The InChIKey is WBRPOWBDMIBPFD-RQOWECAXSA-N. The full InChI is InChI=1S/C13H22O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h2,4H,1,3,5-12H2/b4-2-.
What are the key properties of (9Z)-1-oxacyclotetradec-9-en-2-one?
(9Z)-1-oxacyclotetradec-9-en-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1-oxacyclotetradec-9-en-2-one is sourced from PubChem (CID 102124456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).