13-ethenyl-oxacyclotridecan-2-one

C14H24O2 — CID 12825592

IUPAC13-ethenyl-oxacyclotridecan-2-one
SMILESC=CC1CCCCCCCCCCC(=O)O1
InChIInChI=1S/C14H24O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h2,13H,1,3-12H2
InChIKeyKOBCZHCJJSCTKR-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds1

About 13-ethenyl-oxacyclotridecan-2-one

13-ethenyl-oxacyclotridecan-2-one (PubChem CID 12825592) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 13-ethenyl-oxacyclotridecan-2-one.

Molecular Properties

Compound Name13-ethenyl-oxacyclotridecan-2-one
PubChem CID12825592
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name13-ethenyl-oxacyclotridecan-2-one
SMILESC=CC1CCCCCCCCCCC(=O)O1
InChIInChI=1S/C14H24O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h2,13H,1,3-12H2
InChIKeyKOBCZHCJJSCTKR-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
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

Allyl nonanoate
CID 61410
Allyl octanoate
CID 20219
Allyl Heptanoate
CID 8878
Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
Allyl 10-undecenoate
CID 61412
Ethyl 9-decenoate
CID 522255
1-Octen-3-yl butyrate
CID 27892
2-Hexenyl octanoate, (E)-
CID 5365136
1-Nonen-3-ol, 3-acetate
CID 169364
Allyl decanoate
CID 93831
Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester
CID 98156

Frequently Asked Questions

What is the IUPAC name of 13-ethenyl-oxacyclotridecan-2-one?
The IUPAC name of 13-ethenyl-oxacyclotridecan-2-one (CID 12825592) is 13-ethenyl-oxacyclotridecan-2-one.
What is the SMILES notation for 13-ethenyl-oxacyclotridecan-2-one?
The canonical SMILES for 13-ethenyl-oxacyclotridecan-2-one is C=CC1CCCCCCCCCCC(=O)O1.
What is the InChIKey of 13-ethenyl-oxacyclotridecan-2-one?
The InChIKey is KOBCZHCJJSCTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h2,13H,1,3-12H2.
What are the key properties of 13-ethenyl-oxacyclotridecan-2-one?
13-ethenyl-oxacyclotridecan-2-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethenyl-oxacyclotridecan-2-one is sourced from PubChem (CID 12825592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).