methyl 10-methyl-11-oxoundecanoate

C13H24O3 — CID 18915978

IUPACmethyl 10-methyl-11-oxoundecanoate
SMILESCOC(=O)CCCCCCCCC(C)C=O
InChIInChI=1S/C13H24O3/c1-12(11-14)9-7-5-3-4-6-8-10-13(15)16-2/h11-12H,3-10H2,1-2H3
InChIKeyLGYFPCXSWDJCKK-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.12
Rot. Bonds10

About methyl 10-methyl-11-oxoundecanoate

methyl 10-methyl-11-oxoundecanoate (PubChem CID 18915978) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is methyl 10-methyl-11-oxoundecanoate.

Molecular Properties

Compound Namemethyl 10-methyl-11-oxoundecanoate
PubChem CID18915978
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namemethyl 10-methyl-11-oxoundecanoate
SMILESCOC(=O)CCCCCCCCC(C)C=O
InChIInChI=1S/C13H24O3/c1-12(11-14)9-7-5-3-4-6-8-10-13(15)16-2/h11-12H,3-10H2,1-2H3
InChIKeyLGYFPCXSWDJCKK-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.12
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 10-methyl-11-oxoundecanoate?
The IUPAC name of methyl 10-methyl-11-oxoundecanoate (CID 18915978) is methyl 10-methyl-11-oxoundecanoate.
What is the SMILES notation for methyl 10-methyl-11-oxoundecanoate?
The canonical SMILES for methyl 10-methyl-11-oxoundecanoate is COC(=O)CCCCCCCCC(C)C=O.
What is the InChIKey of methyl 10-methyl-11-oxoundecanoate?
The InChIKey is LGYFPCXSWDJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-12(11-14)9-7-5-3-4-6-8-10-13(15)16-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 10-methyl-11-oxoundecanoate?
methyl 10-methyl-11-oxoundecanoate has a molecular weight of 228.33 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methyl-11-oxoundecanoate is sourced from PubChem (CID 18915978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).