2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid

C12H24O6 — CID 87194957

IUPAC2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid
SMILESCC(C)(C)CC(O)C(=O)O.CC(C)(CO)C(=O)O
InChIInChI=1S/C7H14O3.C5H10O3/c1-7(2,3)4-5(8)6(9)10;1-5(2,3-6)4(7)8/h5,8H,4H2,1-3H3,(H,9,10);6H,3H2,1-2H3,(H,7,8)
InChIKeyRUSUNCWJKUATKS-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.96
Rot. Bonds4

About 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid

2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid (PubChem CID 87194957) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid
PubChem CID87194957
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid
SMILESCC(C)(C)CC(O)C(=O)O.CC(C)(CO)C(=O)O
InChIInChI=1S/C7H14O3.C5H10O3/c1-7(2,3)4-5(8)6(9)10;1-5(2,3-6)4(7)8/h5,8H,4H2,1-3H3,(H,9,10);6H,3H2,1-2H3,(H,7,8)
InChIKeyRUSUNCWJKUATKS-UHFFFAOYSA-N
XLogP0.96
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
3-hydroxy-2,2-dimethylpropanoic acid;methyl 3-hydroxy-2,2-dimethylpropanoate
CID 159359764
4-hydroxy-2,6,6-trimethylheptan-3-one
CID 134296444
(4R)-4-hydroxy-2,6,6-trimethylheptan-3-one
CID 164836555
2,2-dimethylpropane-1,3-diol;hexanedioic acid;3-hydroxy-2,2-dimethylpropanoic acid
CID 174628452
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
2-hydroxy-3,5,5-trimethylhexanoic acid
CID 83906054
5,5-dimethylhexane-1,3-diol;2-methylpropanoic acid
CID 158624014
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2-dimethylpropanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87452046
tert-butyl 2-hydroxy-4,4-dimethylpentanoate
CID 139995556
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid?
The IUPAC name of 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid (CID 87194957) is 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid.
What is the SMILES notation for 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid?
The canonical SMILES for 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid is CC(C)(C)CC(O)C(=O)O.CC(C)(CO)C(=O)O.
What is the InChIKey of 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid?
The InChIKey is RUSUNCWJKUATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C5H10O3/c1-7(2,3)4-5(8)6(9)10;1-5(2,3-6)4(7)8/h5,8H,4H2,1-3H3,(H,9,10);6H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid?
2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,4-dimethylpentanoic acid;3-hydroxy-2,2-dimethylpropanoic acid is sourced from PubChem (CID 87194957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).