tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate

C10H14O9 — CID 10901907

IUPACtetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate
SMILESCOC(=O)C(C(=O)OC)C(O)(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O9/c1-16-6(11)5(7(12)17-2)10(15,8(13)18-3)9(14)19-4/h5,15H,1-4H3
InChIKeyQDVXUOVSPDIMSF-UHFFFAOYSA-N
MW278.21 g/mol
LogP-1.97
Rot. Bonds5

About tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate

tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate (PubChem CID 10901907) has the molecular formula C10H14O9 and a molecular weight of 278.21 g/mol. Its IUPAC name is tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate
PubChem CID10901907
Molecular FormulaC10H14O9
Molecular Weight278.21 g/mol
Exact Mass278.06
IUPAC Nametetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate
SMILESCOC(=O)C(C(=O)OC)C(O)(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O9/c1-16-6(11)5(7(12)17-2)10(15,8(13)18-3)9(14)19-4/h5,15H,1-4H3
InChIKeyQDVXUOVSPDIMSF-UHFFFAOYSA-N
XLogP-1.97
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-Dimethyl 2-hydroxy-2-methylbutanedioate
CID 519625
2-Hydroxy-2,3-dimethylbutanedioic acid
CID 392323
(2R,3S)-2,3-Dimethylmalate
CID 25200436
2,3-Dihydroxy-2,3-dimethylbutanedioic acid
CID 5255085
(2R,3S)-2,3-dimethylmalate(2-)
CID 21145051
(2R,3S)-2,3-dimethylmalic acid
CID 5280615
2,3-Dimethylmalate
CID 22169130
(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid
CID 131231413
(3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 131231414
4,4,4-Trifluoro-3-hydroxy-3-methoxycarbonyl-2-methylbutanoic acid
CID 176430834
Dimethyl 2-hydroxy-3-methyl-2-(trifluoromethyl)butanedioate
CID 176430839
(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid
CID 12533305

Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate?
The IUPAC name of tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate (CID 10901907) is tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate is COC(=O)C(C(=O)OC)C(O)(C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate?
The InChIKey is QDVXUOVSPDIMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O9/c1-16-6(11)5(7(12)17-2)10(15,8(13)18-3)9(14)19-4/h5,15H,1-4H3.
What are the key properties of tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate?
tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate has a molecular weight of 278.21 g/mol, XLogP of -1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-hydroxyethane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 10901907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).