1-oxacyclohexadec-15-en-6-one

C15H26O2 — CID 175276744

IUPAC1-oxacyclohexadec-15-en-6-one
SMILESO=C1CCCCCCCCC=COCCCC1
InChIInChI=1S/C15H26O2/c16-15-11-7-5-3-1-2-4-6-9-13-17-14-10-8-12-15/h9,13H,1-8,10-12,14H2
InChIKeyUVGRACADXAMEQZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds

About 1-oxacyclohexadec-15-en-6-one

1-oxacyclohexadec-15-en-6-one (PubChem CID 175276744) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-oxacyclohexadec-15-en-6-one.

Molecular Properties

Compound Name1-oxacyclohexadec-15-en-6-one
PubChem CID175276744
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-oxacyclohexadec-15-en-6-one
SMILESO=C1CCCCCCCCC=COCCCC1
InChIInChI=1S/C15H26O2/c16-15-11-7-5-3-1-2-4-6-9-13-17-14-10-8-12-15/h9,13H,1-8,10-12,14H2
InChIKeyUVGRACADXAMEQZ-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxacyclohexadec-15-en-6-one?
The IUPAC name of 1-oxacyclohexadec-15-en-6-one (CID 175276744) is 1-oxacyclohexadec-15-en-6-one.
What is the SMILES notation for 1-oxacyclohexadec-15-en-6-one?
The canonical SMILES for 1-oxacyclohexadec-15-en-6-one is O=C1CCCCCCCCC=COCCCC1.
What is the InChIKey of 1-oxacyclohexadec-15-en-6-one?
The InChIKey is UVGRACADXAMEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-15-11-7-5-3-1-2-4-6-9-13-17-14-10-8-12-15/h9,13H,1-8,10-12,14H2.
What are the key properties of 1-oxacyclohexadec-15-en-6-one?
1-oxacyclohexadec-15-en-6-one has a molecular weight of 238.37 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclohexadec-15-en-6-one is sourced from PubChem (CID 175276744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).