methyl 2,6,10-trimethyltridecanoate

C17H34O2 — CID 560276

IUPACmethyl 2,6,10-trimethyltridecanoate
SMILESCCCC(C)CCCC(C)CCCC(C)C(=O)OC
InChIInChI=1S/C17H34O2/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17(18)19-5/h14-16H,6-13H2,1-5H3
InChIKeyAJQKJNYTUWSMBZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.21
Rot. Bonds11

About methyl 2,6,10-trimethyltridecanoate

methyl 2,6,10-trimethyltridecanoate (PubChem CID 560276) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is methyl 2,6,10-trimethyltridecanoate.

Molecular Properties

Compound Namemethyl 2,6,10-trimethyltridecanoate
PubChem CID560276
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namemethyl 2,6,10-trimethyltridecanoate
SMILESCCCC(C)CCCC(C)CCCC(C)C(=O)OC
InChIInChI=1S/C17H34O2/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17(18)19-5/h14-16H,6-13H2,1-5H3
InChIKeyAJQKJNYTUWSMBZ-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,4,8-trimethylundecanoate
CID 560442
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
methyl 5-ethoxy-2-methylpentanoate
CID 123669552
methyl 2-methyl-3-(2-methylpentylsulfinyl)propanoate
CID 66114904
2,15-dimethyloctadecanoic acid
CID 22251958

Frequently Asked Questions

What is the IUPAC name of methyl 2,6,10-trimethyltridecanoate?
The IUPAC name of methyl 2,6,10-trimethyltridecanoate (CID 560276) is methyl 2,6,10-trimethyltridecanoate.
What is the SMILES notation for methyl 2,6,10-trimethyltridecanoate?
The canonical SMILES for methyl 2,6,10-trimethyltridecanoate is CCCC(C)CCCC(C)CCCC(C)C(=O)OC.
What is the InChIKey of methyl 2,6,10-trimethyltridecanoate?
The InChIKey is AJQKJNYTUWSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17(18)19-5/h14-16H,6-13H2,1-5H3.
What are the key properties of methyl 2,6,10-trimethyltridecanoate?
methyl 2,6,10-trimethyltridecanoate has a molecular weight of 270.46 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6,10-trimethyltridecanoate is sourced from PubChem (CID 560276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).