methyl 14-oxotetradecanoate

C15H28O3 — CID 54367256

IUPACmethyl 14-oxotetradecanoate
SMILESCOC(=O)CCCCCCCCCCCCC=O
InChIInChI=1S/C15H28O3/c1-18-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h14H,2-13H2,1H3
InChIKeySDRQPLWGWWJJBZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.04
Rot. Bonds13

About methyl 14-oxotetradecanoate

methyl 14-oxotetradecanoate (PubChem CID 54367256) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 14-oxotetradecanoate.

Molecular Properties

Compound Namemethyl 14-oxotetradecanoate
PubChem CID54367256
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namemethyl 14-oxotetradecanoate
SMILESCOC(=O)CCCCCCCCCCCCC=O
InChIInChI=1S/C15H28O3/c1-18-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h14H,2-13H2,1H3
InChIKeySDRQPLWGWWJJBZ-UHFFFAOYSA-N
XLogP4.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 14-oxotetradecanoate?
The IUPAC name of methyl 14-oxotetradecanoate (CID 54367256) is methyl 14-oxotetradecanoate.
What is the SMILES notation for methyl 14-oxotetradecanoate?
The canonical SMILES for methyl 14-oxotetradecanoate is COC(=O)CCCCCCCCCCCCC=O.
What is the InChIKey of methyl 14-oxotetradecanoate?
The InChIKey is SDRQPLWGWWJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-18-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h14H,2-13H2,1H3.
What are the key properties of methyl 14-oxotetradecanoate?
methyl 14-oxotetradecanoate has a molecular weight of 256.39 g/mol, XLogP of 4.04, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-oxotetradecanoate is sourced from PubChem (CID 54367256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).