3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid

C10H20O3 — CID 83697497

IUPAC3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid
SMILESCC(C)C(O)(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-7(2)10(13,6-8(11)12)9(3,4)5/h7,13H,6H2,1-5H3,(H,11,12)
InChIKeyNEZVSEBILAVMNC-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds3

About 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid

3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid (PubChem CID 83697497) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid
PubChem CID83697497
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid
SMILESCC(C)C(O)(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-7(2)10(13,6-8(11)12)9(3,4)5/h7,13H,6H2,1-5H3,(H,11,12)
InChIKeyNEZVSEBILAVMNC-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169324245
3-amino-3,4-dimethylpentanoic acid
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3,4,4,5-tetramethyl-3-propan-2-ylhexanoic acid
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(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
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3,3-dimethylbutanoic acid;yttrium
CID 59798482
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
2-but-3-yn-2-yl-2-methylbutanedioic acid
CID 88550616
2-hydroxy-5-methoxy-4-methoxycarbonyl-3-methyl-5-oxopentane-1,2,3-tricarboxylic acid
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CID 160778826

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid?
The IUPAC name of 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid (CID 83697497) is 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid.
What is the SMILES notation for 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid?
The canonical SMILES for 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid is CC(C)C(O)(CC(=O)O)C(C)(C)C.
What is the InChIKey of 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid?
The InChIKey is NEZVSEBILAVMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)10(13,6-8(11)12)9(3,4)5/h7,13H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid?
3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid is sourced from PubChem (CID 83697497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).