methyl 15-hydroxy-12-oxopentadecanoate

C16H30O4 — CID 18183464

IUPACmethyl 15-hydroxy-12-oxopentadecanoate
SMILESCOC(=O)CCCCCCCCCCC(=O)CCCO
InChIInChI=1S/C16H30O4/c1-20-16(19)13-9-7-5-3-2-4-6-8-11-15(18)12-10-14-17/h17H,2-14H2,1H3
InChIKeyNZIFVBRJPAVALJ-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.40
Rot. Bonds14

About methyl 15-hydroxy-12-oxopentadecanoate

methyl 15-hydroxy-12-oxopentadecanoate (PubChem CID 18183464) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is methyl 15-hydroxy-12-oxopentadecanoate.

Molecular Properties

Compound Namemethyl 15-hydroxy-12-oxopentadecanoate
PubChem CID18183464
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namemethyl 15-hydroxy-12-oxopentadecanoate
SMILESCOC(=O)CCCCCCCCCCC(=O)CCCO
InChIInChI=1S/C16H30O4/c1-20-16(19)13-9-7-5-3-2-4-6-8-11-15(18)12-10-14-17/h17H,2-14H2,1H3
InChIKeyNZIFVBRJPAVALJ-UHFFFAOYSA-N
XLogP3.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 15-hydroxy-12-oxopentadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 9-oxooctadecanedioate
CID 544455
methyl 14-hydroxytetradecanoate
CID 13245690
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885
methyl 6-oxoicosanoate
CID 57100590
methyl 6-oxoundecanoate
CID 12920411
methyl 20-bromoicosanoate
CID 155895697
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
methyl 8-amino-7-oxooctanoate
CID 23251276

Frequently Asked Questions

What is the IUPAC name of methyl 15-hydroxy-12-oxopentadecanoate?
The IUPAC name of methyl 15-hydroxy-12-oxopentadecanoate (CID 18183464) is methyl 15-hydroxy-12-oxopentadecanoate.
What is the SMILES notation for methyl 15-hydroxy-12-oxopentadecanoate?
The canonical SMILES for methyl 15-hydroxy-12-oxopentadecanoate is COC(=O)CCCCCCCCCCC(=O)CCCO.
What is the InChIKey of methyl 15-hydroxy-12-oxopentadecanoate?
The InChIKey is NZIFVBRJPAVALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-20-16(19)13-9-7-5-3-2-4-6-8-11-15(18)12-10-14-17/h17H,2-14H2,1H3.
What are the key properties of methyl 15-hydroxy-12-oxopentadecanoate?
methyl 15-hydroxy-12-oxopentadecanoate has a molecular weight of 286.41 g/mol, XLogP of 3.40, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 15-hydroxy-12-oxopentadecanoate is sourced from PubChem (CID 18183464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).