(1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate

C6H10O7 — CID 19927088

IUPAC(1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate
SMILESCOCC(COC(=O)O)OC(=O)O
InChIInChI=1S/C6H10O7/c1-11-2-4(13-6(9)10)3-12-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyZTEWQGZJVHDBAN-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.39
Rot. Bonds5

About (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate

(1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate (PubChem CID 19927088) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate
PubChem CID19927088
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name(1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate
SMILESCOCC(COC(=O)O)OC(=O)O
InChIInChI=1S/C6H10O7/c1-11-2-4(13-6(9)10)3-12-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyZTEWQGZJVHDBAN-UHFFFAOYSA-N
XLogP0.39
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate (CID 19927088) is (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate is COCC(COC(=O)O)OC(=O)O.
What is the InChIKey of (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate?
The InChIKey is ZTEWQGZJVHDBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c1-11-2-4(13-6(9)10)3-12-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate has a molecular weight of 194.14 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 19927088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).