acetic acid;3,5-dihydroxy-3-methylpentanoic acid

C8H16O6 — CID 175134746

IUPACacetic acid;3,5-dihydroxy-3-methylpentanoic acid
SMILESCC(=O)O.CC(O)(CCO)CC(=O)O
InChIInChI=1S/C6H12O4.C2H4O2/c1-6(10,2-3-7)4-5(8)9;1-2(3)4/h7,10H,2-4H2,1H3,(H,8,9);1H3,(H,3,4)
InChIKeyCQRCVBFZOCBKJH-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.31
Rot. Bonds4

About acetic acid;3,5-dihydroxy-3-methylpentanoic acid

acetic acid;3,5-dihydroxy-3-methylpentanoic acid (PubChem CID 175134746) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is acetic acid;3,5-dihydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Nameacetic acid;3,5-dihydroxy-3-methylpentanoic acid
PubChem CID175134746
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Nameacetic acid;3,5-dihydroxy-3-methylpentanoic acid
SMILESCC(=O)O.CC(O)(CCO)CC(=O)O
InChIInChI=1S/C6H12O4.C2H4O2/c1-6(10,2-3-7)4-5(8)9;1-2(3)4/h7,10H,2-4H2,1H3,(H,8,9);1H3,(H,3,4)
InChIKeyCQRCVBFZOCBKJH-UHFFFAOYSA-N
XLogP-0.31
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813
(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
CID 87266925
3-hydroxy-3-(2-hydroxyethyl)pentanedioic acid
CID 87313805
3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
CID 175459408
benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950
3,5-dihydroxy-3,4,4-trimethylpentanoic acid
CID 19778708
(3S)-3-hydroxy-3-methyl-5-oxo-5-sulfanylpentanoic acid
CID 54669581
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
3-hydroxy-3-(trideuteriomethyl)pentanedioic acid
CID 15558722
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;λ2-plumbane
CID 173011758

Frequently Asked Questions

What is the IUPAC name of acetic acid;3,5-dihydroxy-3-methylpentanoic acid?
The IUPAC name of acetic acid;3,5-dihydroxy-3-methylpentanoic acid (CID 175134746) is acetic acid;3,5-dihydroxy-3-methylpentanoic acid.
What is the SMILES notation for acetic acid;3,5-dihydroxy-3-methylpentanoic acid?
The canonical SMILES for acetic acid;3,5-dihydroxy-3-methylpentanoic acid is CC(=O)O.CC(O)(CCO)CC(=O)O.
What is the InChIKey of acetic acid;3,5-dihydroxy-3-methylpentanoic acid?
The InChIKey is CQRCVBFZOCBKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.C2H4O2/c1-6(10,2-3-7)4-5(8)9;1-2(3)4/h7,10H,2-4H2,1H3,(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;3,5-dihydroxy-3-methylpentanoic acid?
acetic acid;3,5-dihydroxy-3-methylpentanoic acid has a molecular weight of 208.21 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3,5-dihydroxy-3-methylpentanoic acid is sourced from PubChem (CID 175134746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).