methyl 2,4,8-trimethylundecanoate

C15H30O2 — CID 560442

IUPACmethyl 2,4,8-trimethylundecanoate
SMILESCCCC(C)CCCC(C)CC(C)C(=O)OC
InChIInChI=1S/C15H30O2/c1-6-8-12(2)9-7-10-13(3)11-14(4)15(16)17-5/h12-14H,6-11H2,1-5H3
InChIKeyAJUPMLAMFDCXCY-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.43
Rot. Bonds9

About methyl 2,4,8-trimethylundecanoate

methyl 2,4,8-trimethylundecanoate (PubChem CID 560442) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is methyl 2,4,8-trimethylundecanoate.

Molecular Properties

Compound Namemethyl 2,4,8-trimethylundecanoate
PubChem CID560442
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Namemethyl 2,4,8-trimethylundecanoate
SMILESCCCC(C)CCCC(C)CC(C)C(=O)OC
InChIInChI=1S/C15H30O2/c1-6-8-12(2)9-7-10-13(3)11-14(4)15(16)17-5/h12-14H,6-11H2,1-5H3
InChIKeyAJUPMLAMFDCXCY-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,6,10-trimethyltridecanoate
CID 560276
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
methyl (2R)-4-hydroxy-2-methylheptanoate
CID 174362500
2-methoxycarbonyl-4-methylheptanoic acid
CID 103973369
4,6,8,10-tetramethyltridecan-7-one
CID 150096425
methyl 8-tert-butylperoxy-2,4-dimethyloctanoate
CID 14913982
methyl 6-hydroxy-2,4-dimethylheptanoate
CID 85176475
methyl 2-methyl-3-(2-methylpentylsulfinyl)propanoate
CID 66114904
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2,6-dimethylheptanoate
CID 54536148

Frequently Asked Questions

What is the IUPAC name of methyl 2,4,8-trimethylundecanoate?
The IUPAC name of methyl 2,4,8-trimethylundecanoate (CID 560442) is methyl 2,4,8-trimethylundecanoate.
What is the SMILES notation for methyl 2,4,8-trimethylundecanoate?
The canonical SMILES for methyl 2,4,8-trimethylundecanoate is CCCC(C)CCCC(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2,4,8-trimethylundecanoate?
The InChIKey is AJUPMLAMFDCXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-8-12(2)9-7-10-13(3)11-14(4)15(16)17-5/h12-14H,6-11H2,1-5H3.
What are the key properties of methyl 2,4,8-trimethylundecanoate?
methyl 2,4,8-trimethylundecanoate has a molecular weight of 242.40 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,8-trimethylundecanoate is sourced from PubChem (CID 560442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).