(3R)-3-hydroxy-2,2-dimethylhexanoic acid

C8H16O3 — CID 45380206

IUPAC(3R)-3-hydroxy-2,2-dimethylhexanoic acid
SMILESCCC[C@@H](O)C(C)(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5-6(9)8(2,3)7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyRONNVWSCDUAUTK-ZCFIWIBFSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds4

About (3R)-3-hydroxy-2,2-dimethylhexanoic acid

(3R)-3-hydroxy-2,2-dimethylhexanoic acid (PubChem CID 45380206) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,2-dimethylhexanoic acid
PubChem CID45380206
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3R)-3-hydroxy-2,2-dimethylhexanoic acid
SMILESCCC[C@@H](O)C(C)(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5-6(9)8(2,3)7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyRONNVWSCDUAUTK-ZCFIWIBFSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid
CID 141061914
2-hydroxypentane-1,1,1-tricarboxylic acid
CID 175083274
3,6-dihydroxy-2,2-dimethylhexanoic acid
CID 88624725
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
2-chloro-2-methylhexan-3-ol
CID 130124789
3-hydroxy-2,2-dimethylheptanamide
CID 91302287
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
2-acetyloxy-2-ethyl-3-hydroxyhexanoic acid
CID 57151238

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,2-dimethylhexanoic acid?
The IUPAC name of (3R)-3-hydroxy-2,2-dimethylhexanoic acid (CID 45380206) is (3R)-3-hydroxy-2,2-dimethylhexanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-2,2-dimethylhexanoic acid?
The canonical SMILES for (3R)-3-hydroxy-2,2-dimethylhexanoic acid is CCC[C@@H](O)C(C)(C)C(=O)O.
What is the InChIKey of (3R)-3-hydroxy-2,2-dimethylhexanoic acid?
The InChIKey is RONNVWSCDUAUTK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5-6(9)8(2,3)7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2,2-dimethylhexanoic acid?
(3R)-3-hydroxy-2,2-dimethylhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,2-dimethylhexanoic acid is sourced from PubChem (CID 45380206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).