5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid

C12H24O6 — CID 175383809

IUPAC5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid
SMILESCC(CO)(CCCO)C(=O)O.CCC(C)C(=O)O
InChIInChI=1S/C7H14O4.C5H10O2/c1-7(5-9,6(10)11)3-2-4-8;1-3-4(2)5(6)7/h8-9H,2-5H2,1H3,(H,10,11);4H,3H2,1-2H3,(H,6,7)
InChIKeyMXVRFLKZWAAQMO-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.96
Rot. Bonds7

About 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid

5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid (PubChem CID 175383809) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid
PubChem CID175383809
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid
SMILESCC(CO)(CCCO)C(=O)O.CCC(C)C(=O)O
InChIInChI=1S/C7H14O4.C5H10O2/c1-7(5-9,6(10)11)3-2-4-8;1-3-4(2)5(6)7/h8-9H,2-5H2,1H3,(H,10,11);4H,3H2,1-2H3,(H,6,7)
InChIKeyMXVRFLKZWAAQMO-UHFFFAOYSA-N
XLogP0.96
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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

6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
2-(2-ethylbutyl)-2,10-dimethylundecanedioic acid
CID 87569454
methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
CID 129202737
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid?
The IUPAC name of 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid (CID 175383809) is 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid.
What is the SMILES notation for 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid?
The canonical SMILES for 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid is CC(CO)(CCCO)C(=O)O.CCC(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid?
The InChIKey is MXVRFLKZWAAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4.C5H10O2/c1-7(5-9,6(10)11)3-2-4-8;1-3-4(2)5(6)7/h8-9H,2-5H2,1H3,(H,10,11);4H,3H2,1-2H3,(H,6,7).
What are the key properties of 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid?
5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid is sourced from PubChem (CID 175383809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).