methyl 11-methyltridecanoate

C15H30O2 — CID 14122942

IUPACmethyl 11-methyltridecanoate
SMILESCCC(C)CCCCCCCCCC(=O)OC
InChIInChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
InChIKeyKXVISLMYSJMHMJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.72
Rot. Bonds11

About methyl 11-methyltridecanoate

methyl 11-methyltridecanoate (PubChem CID 14122942) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is methyl 11-methyltridecanoate.

Molecular Properties

Compound Namemethyl 11-methyltridecanoate
PubChem CID14122942
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Namemethyl 11-methyltridecanoate
SMILESCCC(C)CCCCCCCCCC(=O)OC
InChIInChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
InChIKeyKXVISLMYSJMHMJ-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 23-methylpentacosanoate
CID 15047975
methyl (18R)-18-methylicosanoate
CID 102237844
methyl 10,15-dimethylheptadecanoate
CID 162457552
methyl 9,13-dimethylpentadecanoate
CID 162457550
methyl (Z,14R)-14-methylhexadec-7-enoate
CID 170988097
methyl 17-methyltetracosanoate
CID 91697154
methyl 7-methyldodecanoate
CID 162457531
methyl (E)-14-methylhexadec-9-enoate
CID 91695396
dimethyl 4-methyltetradecanedioate
CID 87116988
8-methyldecanoyl 8-methyldecanoate
CID 175714678
dimethyl 3-methylnonadecanedioate
CID 89439795
methyl 21-methyldocosanoate
CID 14178788

Frequently Asked Questions

What is the IUPAC name of methyl 11-methyltridecanoate?
The IUPAC name of methyl 11-methyltridecanoate (CID 14122942) is methyl 11-methyltridecanoate.
What is the SMILES notation for methyl 11-methyltridecanoate?
The canonical SMILES for methyl 11-methyltridecanoate is CCC(C)CCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 11-methyltridecanoate?
The InChIKey is KXVISLMYSJMHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3.
What are the key properties of methyl 11-methyltridecanoate?
methyl 11-methyltridecanoate has a molecular weight of 242.40 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methyltridecanoate is sourced from PubChem (CID 14122942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).