14-methyl-1-oxacyclopentadec-12-en-2-one

C15H26O2 — CID 174998559

IUPAC14-methyl-1-oxacyclopentadec-12-en-2-one
SMILESCC1C=CCCCCCCCCCC(=O)OC1
InChIInChI=1S/C15H26O2/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)17-13-14/h9,11,14H,2-8,10,12-13H2,1H3
InChIKeyIRCKVQHZTCRBMY-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds

About 14-methyl-1-oxacyclopentadec-12-en-2-one

14-methyl-1-oxacyclopentadec-12-en-2-one (PubChem CID 174998559) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 14-methyl-1-oxacyclopentadec-12-en-2-one.

Molecular Properties

Compound Name14-methyl-1-oxacyclopentadec-12-en-2-one
PubChem CID174998559
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name14-methyl-1-oxacyclopentadec-12-en-2-one
SMILESCC1C=CCCCCCCCCCC(=O)OC1
InChIInChI=1S/C15H26O2/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)17-13-14/h9,11,14H,2-8,10,12-13H2,1H3
InChIKeyIRCKVQHZTCRBMY-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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 14-methyl-1-oxacyclopentadec-12-en-2-one?
The IUPAC name of 14-methyl-1-oxacyclopentadec-12-en-2-one (CID 174998559) is 14-methyl-1-oxacyclopentadec-12-en-2-one.
What is the SMILES notation for 14-methyl-1-oxacyclopentadec-12-en-2-one?
The canonical SMILES for 14-methyl-1-oxacyclopentadec-12-en-2-one is CC1C=CCCCCCCCCCC(=O)OC1.
What is the InChIKey of 14-methyl-1-oxacyclopentadec-12-en-2-one?
The InChIKey is IRCKVQHZTCRBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)17-13-14/h9,11,14H,2-8,10,12-13H2,1H3.
What are the key properties of 14-methyl-1-oxacyclopentadec-12-en-2-one?
14-methyl-1-oxacyclopentadec-12-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-1-oxacyclopentadec-12-en-2-one is sourced from PubChem (CID 174998559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).