methyl 8-oxotridecanoate

C14H26O3 — CID 14454473

IUPACmethyl 8-oxotridecanoate
SMILESCCCCCC(=O)CCCCCCC(=O)OC
InChIInChI=1S/C14H26O3/c1-3-4-7-10-13(15)11-8-5-6-9-12-14(16)17-2/h3-12H2,1-2H3
InChIKeyZEXZFJZFHHJHIW-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.65
Rot. Bonds11

About methyl 8-oxotridecanoate

methyl 8-oxotridecanoate (PubChem CID 14454473) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 8-oxotridecanoate.

Molecular Properties

Compound Namemethyl 8-oxotridecanoate
PubChem CID14454473
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namemethyl 8-oxotridecanoate
SMILESCCCCCC(=O)CCCCCCC(=O)OC
InChIInChI=1S/C14H26O3/c1-3-4-7-10-13(15)11-8-5-6-9-12-14(16)17-2/h3-12H2,1-2H3
InChIKeyZEXZFJZFHHJHIW-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-oxoicosanoate
CID 57100590
methyl 7-oxoicosanoate
CID 86186885
methyl 6-oxoundecanoate
CID 12920411
methyl octadecanoate;methyl octanoate
CID 157178883
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methanol;methyl decanoate
CID 174459243
methyl nonanoate;hydrochloride
CID 141151355
dimethyl 9-oxooctadecanedioate
CID 544455

Frequently Asked Questions

What is the IUPAC name of methyl 8-oxotridecanoate?
The IUPAC name of methyl 8-oxotridecanoate (CID 14454473) is methyl 8-oxotridecanoate.
What is the SMILES notation for methyl 8-oxotridecanoate?
The canonical SMILES for methyl 8-oxotridecanoate is CCCCCC(=O)CCCCCCC(=O)OC.
What is the InChIKey of methyl 8-oxotridecanoate?
The InChIKey is ZEXZFJZFHHJHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-4-7-10-13(15)11-8-5-6-9-12-14(16)17-2/h3-12H2,1-2H3.
What are the key properties of methyl 8-oxotridecanoate?
methyl 8-oxotridecanoate has a molecular weight of 242.36 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-oxotridecanoate is sourced from PubChem (CID 14454473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).