methyl 10-methylundecanoate

C13H26O2 — CID 554144

IUPACmethyl 10-methylundecanoate
SMILESCOC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3
InChIKeyXPVCTJYIICVJOE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.94
Rot. Bonds9

About methyl 10-methylundecanoate

methyl 10-methylundecanoate (PubChem CID 554144) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is methyl 10-methylundecanoate.

Molecular Properties

Compound Namemethyl 10-methylundecanoate
PubChem CID554144
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Namemethyl 10-methylundecanoate
SMILESCOC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3
InChIKeyXPVCTJYIICVJOE-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.94
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 Laurate
CID 8139
Methyl Decanoate
CID 8050
Methyl Octanoate
CID 8091
Methyl Myristate
CID 31284
Methyl nonanoate
CID 15606
Methyl heptanoate
CID 7826
Methyl cyclohexanecarboxylate
CID 20748
(R)-(-)-2-propyloctanoic acid
CID 208925
3-Methylbutyl octanoate
CID 16255
Ethyl cyclohexane propionate
CID 61466
Isoamyl decanoate
CID 75320
Anteisopentadecanoic Acid
CID 21672

Frequently Asked Questions

What is the IUPAC name of methyl 10-methylundecanoate?
The IUPAC name of methyl 10-methylundecanoate (CID 554144) is methyl 10-methylundecanoate.
What is the SMILES notation for methyl 10-methylundecanoate?
The canonical SMILES for methyl 10-methylundecanoate is COC(=O)CCCCCCCCC(C)C.
What is the InChIKey of methyl 10-methylundecanoate?
The InChIKey is XPVCTJYIICVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3.
What are the key properties of methyl 10-methylundecanoate?
methyl 10-methylundecanoate has a molecular weight of 214.35 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methylundecanoate is sourced from PubChem (CID 554144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).