2-hydroxy-3-(2-methoxypropoxy)butanedioate

C8H12O7-2 — CID 18717532

IUPAC2-hydroxy-3-(2-methoxypropoxy)butanedioate
SMILESCOC(C)COC(C(=O)[O-])C(O)C(=O)[O-]
InChIInChI=1S/C8H14O7/c1-4(14-2)3-15-6(8(12)13)5(9)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13)/p-2
InChIKeyVFTNFQGPHXGWMW-UHFFFAOYSA-L
MW220.18 g/mol
LogP-3.73
Rot. Bonds7

About 2-hydroxy-3-(2-methoxypropoxy)butanedioate

2-hydroxy-3-(2-methoxypropoxy)butanedioate (PubChem CID 18717532) has the molecular formula C8H12O7-2 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methoxypropoxy)butanedioate.

Molecular Properties

Compound Name2-hydroxy-3-(2-methoxypropoxy)butanedioate
PubChem CID18717532
Molecular FormulaC8H12O7-2
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name2-hydroxy-3-(2-methoxypropoxy)butanedioate
SMILESCOC(C)COC(C(=O)[O-])C(O)C(=O)[O-]
InChIInChI=1S/C8H14O7/c1-4(14-2)3-15-6(8(12)13)5(9)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13)/p-2
InChIKeyVFTNFQGPHXGWMW-UHFFFAOYSA-L
XLogP-3.73
TPSA118.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-3.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962
2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 86606253
2-ethoxy-2-(2-methoxypropoxy)acetic acid
CID 57284708
sodium 3-hydroxy-2-methoxybutanoate
CID 73426627
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
2-(2-methoxypropoxy)propan-1-ol;propane-1,2-diol
CID 87149453
azane;fluoro 2-(2-methoxypropoxy)propanoate
CID 175447358
4-(2-methoxypropoxy)-4-oxobut-2-enoic acid
CID 54339045
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
(3S)-3-methoxybutanoic acid
CID 51374275
1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol
CID 22947723

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methoxypropoxy)butanedioate?
The IUPAC name of 2-hydroxy-3-(2-methoxypropoxy)butanedioate (CID 18717532) is 2-hydroxy-3-(2-methoxypropoxy)butanedioate.
What is the SMILES notation for 2-hydroxy-3-(2-methoxypropoxy)butanedioate?
The canonical SMILES for 2-hydroxy-3-(2-methoxypropoxy)butanedioate is COC(C)COC(C(=O)[O-])C(O)C(=O)[O-].
What is the InChIKey of 2-hydroxy-3-(2-methoxypropoxy)butanedioate?
The InChIKey is VFTNFQGPHXGWMW-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H14O7/c1-4(14-2)3-15-6(8(12)13)5(9)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13)/p-2.
What are the key properties of 2-hydroxy-3-(2-methoxypropoxy)butanedioate?
2-hydroxy-3-(2-methoxypropoxy)butanedioate has a molecular weight of 220.18 g/mol, XLogP of -3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methoxypropoxy)butanedioate is sourced from PubChem (CID 18717532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).