(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid

C7H14O4 — CID 141061914

IUPAC(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid
SMILESCC(C)(C(=O)O)[C@@H](O)CCO
InChIInChI=1S/C7H14O4/c1-7(2,6(10)11)5(9)3-4-8/h5,8-9H,3-4H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyQGYNXQMBZVRCEO-YFKPBYRVSA-N
MW162.18 g/mol
LogP-0.16
Rot. Bonds4

About (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid

(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid (PubChem CID 141061914) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid
PubChem CID141061914
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid
SMILESCC(C)(C(=O)O)[C@@H](O)CCO
InChIInChI=1S/C7H14O4/c1-7(2,6(10)11)5(9)3-4-8/h5,8-9H,3-4H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyQGYNXQMBZVRCEO-YFKPBYRVSA-N
XLogP-0.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dihydroxy-2,2-dimethylhexanoic acid
CID 88624725
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
ethyl (3S)-3,5-dihydroxy-2,2-dimethylpentanoate
CID 131852903
4,4,5-trimethylhexane-1,3-diol
CID 162719474
7,7,8,9,9-pentadeuterio-3-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
CID 175727803
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
1,3,3,4,6-pentahydroxyhexan-2-one
CID 91546410
5,5-dimethylhexane-1,3-diol;2-methylpropanoic acid
CID 158624014
3-hydroxy-2,2,4-trimethylhexanoic acid
CID 62397285

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid?
The IUPAC name of (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid (CID 141061914) is (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid.
What is the SMILES notation for (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid?
The canonical SMILES for (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid is CC(C)(C(=O)O)[C@@H](O)CCO.
What is the InChIKey of (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid?
The InChIKey is QGYNXQMBZVRCEO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(2,6(10)11)5(9)3-4-8/h5,8-9H,3-4H2,1-2H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid?
(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid has a molecular weight of 162.18 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid is sourced from PubChem (CID 141061914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).