3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid

C11H22O3 — CID 169324245

IUPAC3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(O)(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-9(2,3)11(14,7-8(12)13)10(4,5)6/h14H,7H2,1-6H3,(H,12,13)
InChIKeyGVBDSVDHCLHNIP-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.28
Rot. Bonds2

About 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid

3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid (PubChem CID 169324245) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
PubChem CID169324245
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(O)(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-9(2,3)11(14,7-8(12)13)10(4,5)6/h14H,7H2,1-6H3,(H,12,13)
InChIKeyGVBDSVDHCLHNIP-UHFFFAOYSA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174497141
benzene;3-hydroxy-3-methylbutanoic acid
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4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CID 139080677
3,3-dimethylbutanoic acid;yttrium
CID 59798482
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid
CID 83697497
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
3,3-dichlorobutanoic acid
CID 56997062
(1-carboxy-2-methylpropan-2-yl)azanium
CID 59614741
CID 174276018
CID 174276018
(3S)-3-hydroxy-3-methyl-5-oxo-5-sulfanylpentanoic acid
CID 54669581
3-hydroxy-3,5-dimethylhex-4-enoic acid
CID 65440645

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid?
The IUPAC name of 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid (CID 169324245) is 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid is CC(C)(C)C(O)(CC(=O)O)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid?
The InChIKey is GVBDSVDHCLHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2,3)11(14,7-8(12)13)10(4,5)6/h14H,7H2,1-6H3,(H,12,13).
What are the key properties of 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid?
3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid is sourced from PubChem (CID 169324245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).