Structure Database (LMSD)

Common Name
Pivalic acid
Systematic Name
2,2-dimethyl-propanoic acid
Synonyms
LM ID
LMFA01020073
Status
Active
Exact Mass
Calculate m/z
102.06808
Formula
C5H10O2
Abbrev
FA 5:0
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
IUGYQRQAERSCNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
SMILES (Click to copy)
C(C)(C)(C)C(=O)O

References

Other Databases

Wikipedia
Pivalic acid
HMDB ID
HMDB0041992
CHEBI ID
45133
LIPIDBANK ID
DFA7041
PubChem CID
6417

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 110.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.12
Molar Refractivity 27.09

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Updated at
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