2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol

C11H22O7 — CID 134329051

IUPAC2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
SMILESCC(C)O.CCC(O)(C(=O)O)C(O)(CC)C(=O)O
InChIInChI=1S/C8H14O6.C3H8O/c1-3-7(13,5(9)10)8(14,4-2)6(11)12;1-3(2)4/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12);3-4H,1-2H3
InChIKeyQUXNWUJABLJXAY-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.18
Rot. Bonds5

About 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol

2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol (PubChem CID 134329051) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol.

Molecular Properties

Compound Name2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
PubChem CID134329051
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
SMILESCC(C)O.CCC(O)(C(=O)O)C(O)(CC)C(=O)O
InChIInChI=1S/C8H14O6.C3H8O/c1-3-7(13,5(9)10)8(14,4-2)6(11)12;1-3(2)4/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12);3-4H,1-2H3
InChIKeyQUXNWUJABLJXAY-UHFFFAOYSA-N
XLogP-0.18
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);bis(propan-2-ol);zirconium
CID 173047546
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-ethyl-2-propan-2-ylsulfanylbutanoic acid
CID 61342372
(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 139819668
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid
CID 61344207
2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid
CID 175114056
2,2-diethyl-3-sulfanylbutanoic acid
CID 88842800

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol?
The IUPAC name of 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol (CID 134329051) is 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol.
What is the SMILES notation for 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol?
The canonical SMILES for 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol is CC(C)O.CCC(O)(C(=O)O)C(O)(CC)C(=O)O.
What is the InChIKey of 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol?
The InChIKey is QUXNWUJABLJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6.C3H8O/c1-3-7(13,5(9)10)8(14,4-2)6(11)12;1-3(2)4/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12);3-4H,1-2H3.
What are the key properties of 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol?
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol has a molecular weight of 266.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol is sourced from PubChem (CID 134329051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).