4,8-dimethyldodecanoic acid

C14H28O2 — CID 5282617

IUPAC4,8-dimethyldodecanoic acid
SMILESCCCCC(C)CCCC(C)CCC(=O)O
InChIInChI=1S/C14H28O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyJJPHRFRFAKPCKZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.48
Rot. Bonds10

About 4,8-dimethyldodecanoic acid

4,8-dimethyldodecanoic acid (PubChem CID 5282617) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,8-dimethyldodecanoic acid.

Molecular Properties

Compound Name4,8-dimethyldodecanoic acid
PubChem CID5282617
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4,8-dimethyldodecanoic acid
SMILESCCCCC(C)CCCC(C)CCC(=O)O
InChIInChI=1S/C14H28O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyJJPHRFRFAKPCKZ-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methyloctanoic acid
CID 171811977
4,8,12-trimethylnonadecanoic acid
CID 141295751
4,8-dimethylundecanoic acid
CID 25230729
4-methyloctanoic acid;nonanoic acid
CID 161166549
4-methyltetradecanoic acid
CID 23454322
deuterio 4-methyloctanoate
CID 175688487
(11S)-11-methylhexadecanoic acid
CID 162980930
(6S)-6-methyltetradecanoic acid
CID 95858653
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(10R)-10-methylheptadecanoic acid
CID 124527302

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyldodecanoic acid?
The IUPAC name of 4,8-dimethyldodecanoic acid (CID 5282617) is 4,8-dimethyldodecanoic acid.
What is the SMILES notation for 4,8-dimethyldodecanoic acid?
The canonical SMILES for 4,8-dimethyldodecanoic acid is CCCCC(C)CCCC(C)CCC(=O)O.
What is the InChIKey of 4,8-dimethyldodecanoic acid?
The InChIKey is JJPHRFRFAKPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 4,8-dimethyldodecanoic acid?
4,8-dimethyldodecanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyldodecanoic acid is sourced from PubChem (CID 5282617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).