2,3-dibutyl-2-hydroxybutanedioic acid

C12H22O5 — CID 18463835

IUPAC2,3-dibutyl-2-hydroxybutanedioic acid
SMILESCCCCC(C(=O)O)C(O)(CCCC)C(=O)O
InChIInChI=1S/C12H22O5/c1-3-5-7-9(10(13)14)12(17,11(15)16)8-6-4-2/h9,17H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYYZOGRSNHJHAPJ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.88
Rot. Bonds9

About 2,3-dibutyl-2-hydroxybutanedioic acid

2,3-dibutyl-2-hydroxybutanedioic acid (PubChem CID 18463835) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2,3-dibutyl-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2,3-dibutyl-2-hydroxybutanedioic acid
PubChem CID18463835
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2,3-dibutyl-2-hydroxybutanedioic acid
SMILESCCCCC(C(=O)O)C(O)(CCCC)C(=O)O
InChIInChI=1S/C12H22O5/c1-3-5-7-9(10(13)14)12(17,11(15)16)8-6-4-2/h9,17H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYYZOGRSNHJHAPJ-UHFFFAOYSA-N
XLogP1.88
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,3-dioctylbutanedioic acid
CID 22376992
2,3-dihexyl-2-hydroxybutanedioic acid
CID 22274742
2-hydroxy-2,3-bis(4-methylpentyl)butanedioic acid
CID 22274740
2-ethyl-2-hydroxy-3-tridecylbutanedioic acid
CID 151671490
2-hydroxyhenicosane-1,2,3-tricarboxylic acid
CID 54574275
2-hydroxy-2-propan-2-ylhexanoic acid
CID 22743973
6,9-bis(sulfanyl)tetradecane-4,5,8,9-tetracarboxylic acid
CID 154417552
2,2-dihydroxyhexanoic acid;2-hydroxyhexanoic acid
CID 161085077
2-hydroxy-2-(2-methoxy-2-oxoethyl)-3-tridecylbutanedioic acid
CID 171342773
2-hexadecyl-2,3-dihydroxybutanedioic acid
CID 139894675
2,3-bis(2-butyloctyl)-2-hydroxybutanedioic acid
CID 23501955
2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-2-hydroxybutanedioic acid?
The IUPAC name of 2,3-dibutyl-2-hydroxybutanedioic acid (CID 18463835) is 2,3-dibutyl-2-hydroxybutanedioic acid.
What is the SMILES notation for 2,3-dibutyl-2-hydroxybutanedioic acid?
The canonical SMILES for 2,3-dibutyl-2-hydroxybutanedioic acid is CCCCC(C(=O)O)C(O)(CCCC)C(=O)O.
What is the InChIKey of 2,3-dibutyl-2-hydroxybutanedioic acid?
The InChIKey is YYZOGRSNHJHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-3-5-7-9(10(13)14)12(17,11(15)16)8-6-4-2/h9,17H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,3-dibutyl-2-hydroxybutanedioic acid?
2,3-dibutyl-2-hydroxybutanedioic acid has a molecular weight of 246.30 g/mol, XLogP of 1.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-2-hydroxybutanedioic acid is sourced from PubChem (CID 18463835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).