15-ethenyl-15-methyl-oxacyclopentadecan-2-one

C17H30O2 — CID 549360

IUPAC15-ethenyl-15-methyl-oxacyclopentadecan-2-one
SMILESC=CC1(C)CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16(18)19-17/h3H,1,4-15H2,2H3
InChIKeyYLIRVNCTZUTTND-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds1

About 15-ethenyl-15-methyl-oxacyclopentadecan-2-one

15-ethenyl-15-methyl-oxacyclopentadecan-2-one (PubChem CID 549360) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 15-ethenyl-15-methyl-oxacyclopentadecan-2-one.

Molecular Properties

Compound Name15-ethenyl-15-methyl-oxacyclopentadecan-2-one
PubChem CID549360
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name15-ethenyl-15-methyl-oxacyclopentadecan-2-one
SMILESC=CC1(C)CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16(18)19-17/h3H,1,4-15H2,2H3
InChIKeyYLIRVNCTZUTTND-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-ethenyl-15-methyl-oxacyclopentadecan-2-one?
The IUPAC name of 15-ethenyl-15-methyl-oxacyclopentadecan-2-one (CID 549360) is 15-ethenyl-15-methyl-oxacyclopentadecan-2-one.
What is the SMILES notation for 15-ethenyl-15-methyl-oxacyclopentadecan-2-one?
The canonical SMILES for 15-ethenyl-15-methyl-oxacyclopentadecan-2-one is C=CC1(C)CCCCCCCCCCCCC(=O)O1.
What is the InChIKey of 15-ethenyl-15-methyl-oxacyclopentadecan-2-one?
The InChIKey is YLIRVNCTZUTTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16(18)19-17/h3H,1,4-15H2,2H3.
What are the key properties of 15-ethenyl-15-methyl-oxacyclopentadecan-2-one?
15-ethenyl-15-methyl-oxacyclopentadecan-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethenyl-15-methyl-oxacyclopentadecan-2-one is sourced from PubChem (CID 549360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).