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

C6H9O7- — CID 19927087

IUPAC(1-carboxyoxy-3-methoxypropan-2-yl) 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)/p-1
InChIKeyZTEWQGZJVHDBAN-UHFFFAOYSA-M
MW193.13 g/mol
LogP-0.94
Rot. Bonds5

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

(1-carboxyoxy-3-methoxypropan-2-yl) carbonate (PubChem CID 19927087) has the molecular formula C6H9O7- and a molecular weight of 193.13 g/mol. Its IUPAC name is (1-carboxyoxy-3-methoxypropan-2-yl) carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-3-methoxypropan-2-yl) carbonate
PubChem CID19927087
Molecular FormulaC6H9O7-
Molecular Weight193.13 g/mol
Exact Mass193.04
IUPAC Name(1-carboxyoxy-3-methoxypropan-2-yl) 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)/p-1
InChIKeyZTEWQGZJVHDBAN-UHFFFAOYSA-M
XLogP-0.94
TPSA105.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-3-methoxypropan-2-yl) carbonate?
The IUPAC name of (1-carboxyoxy-3-methoxypropan-2-yl) carbonate (CID 19927087) is (1-carboxyoxy-3-methoxypropan-2-yl) carbonate.
What is the SMILES notation for (1-carboxyoxy-3-methoxypropan-2-yl) carbonate?
The canonical SMILES for (1-carboxyoxy-3-methoxypropan-2-yl) carbonate is COCC(COC(=O)O)OC(=O)[O-].
What is the InChIKey of (1-carboxyoxy-3-methoxypropan-2-yl) carbonate?
The InChIKey is ZTEWQGZJVHDBAN-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of (1-carboxyoxy-3-methoxypropan-2-yl) carbonate?
(1-carboxyoxy-3-methoxypropan-2-yl) carbonate has a molecular weight of 193.13 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-3-methoxypropan-2-yl) carbonate is sourced from PubChem (CID 19927087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).