2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid

C10H20O3 — CID 79303936

IUPAC2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
SMILESCCCC(C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O3/c1-5-6-8(4)10(13,7(2)3)9(11)12/h7-8,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyRVSVWQDECPNMNX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds5

About 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid

2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid (PubChem CID 79303936) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
PubChem CID79303936
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
SMILESCCCC(C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O3/c1-5-6-8(4)10(13,7(2)3)9(11)12/h7-8,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyRVSVWQDECPNMNX-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
CID 79304211
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
CID 107887883
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
CID 79303592
methyl 2-hydroxy-3-methyl-2-propan-2-yloctanoate
CID 80558570
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
3,4-dihydroxy-3-propan-2-ylheptanoic acid
CID 91443573
2-hydroxypentane-1,1,1-tricarboxylic acid
CID 175083274
2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 107889835
2,3-dimethyl-2-propan-2-ylhexanamide
CID 56985288
2-ethoxycarbonyl-2,3-dimethylhexanoic acid
CID 107889825
2,2-di(heptan-4-yl)propanedioic acid
CID 91100527

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid?
The IUPAC name of 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid (CID 79303936) is 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid is CCCC(C)C(O)(C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid?
The InChIKey is RVSVWQDECPNMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-8(4)10(13,7(2)3)9(11)12/h7-8,13H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid?
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 79303936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).