(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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Related Compounds

[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
[3-methoxy-2-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 87948825
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
(5-carboxyoxy-4-methylpentan-2-yl) carbonate
CID 19033546
[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
CID 87233218
(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
CID 89414576
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid
CID 87526850
[1-carboxyoxy-3-(2-methylprop-2-enoxy)propan-2-yl] hydrogen carbonate
CID 87655481
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
(1-carboxyoxy-3-prop-2-enoxypropan-2-yl) hydrogen carbonate
CID 87261802

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).