4,8-dimethylundecanoic acid

C13H26O2 — CID 25230729

IUPAC4,8-dimethylundecanoic acid
SMILESCCCC(C)CCCC(C)CCC(=O)O
InChIInChI=1S/C13H26O2/c1-4-6-11(2)7-5-8-12(3)9-10-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyZCITYOZHTMGUTL-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.09
Rot. Bonds9

About 4,8-dimethylundecanoic acid

4,8-dimethylundecanoic acid (PubChem CID 25230729) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4,8-dimethylundecanoic acid.

Molecular Properties

Compound Name4,8-dimethylundecanoic acid
PubChem CID25230729
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4,8-dimethylundecanoic acid
SMILESCCCC(C)CCCC(C)CCC(=O)O
InChIInChI=1S/C13H26O2/c1-4-6-11(2)7-5-8-12(3)9-10-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyZCITYOZHTMGUTL-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-dimethyldodecanoic acid
CID 5282617
4,8,12-trimethylnonadecanoic acid
CID 141295751
ethane;4-methyloctanoic acid
CID 171811977
4-methyltetradecanoic acid
CID 23454322
4-methyloctanoic acid;nonanoic acid
CID 161166549
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
7-amino-4-methylheptanoic acid
CID 57310581
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
12-methylicosanoic acid
CID 15736271

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylundecanoic acid?
The IUPAC name of 4,8-dimethylundecanoic acid (CID 25230729) is 4,8-dimethylundecanoic acid.
What is the SMILES notation for 4,8-dimethylundecanoic acid?
The canonical SMILES for 4,8-dimethylundecanoic acid is CCCC(C)CCCC(C)CCC(=O)O.
What is the InChIKey of 4,8-dimethylundecanoic acid?
The InChIKey is ZCITYOZHTMGUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-11(2)7-5-8-12(3)9-10-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 4,8-dimethylundecanoic acid?
4,8-dimethylundecanoic acid has a molecular weight of 214.35 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylundecanoic acid is sourced from PubChem (CID 25230729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).