dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol

C14H30O12 — CID 161167335

IUPACdimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
SMILESCC(O)CO.CO.COC(=O)OC.COC(=O)OCC(C)OC(=O)OC
InChIInChI=1S/C7H12O6.C3H6O3.C3H8O2.CH4O/c1-5(13-7(9)11-3)4-12-6(8)10-2;1-5-3(4)6-2;1-3(5)2-4;1-2/h5H,4H2,1-3H3;1-2H3;3-5H,2H2,1H3;2H,1H3
InChIKeyUQSJAWJTJKXFDF-UHFFFAOYSA-N
MW390.38 g/mol
LogP0.31
Rot. Bonds4

About dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol

dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol (PubChem CID 161167335) has the molecular formula C14H30O12 and a molecular weight of 390.38 g/mol. Its IUPAC name is dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol.

Molecular Properties

Compound Namedimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
PubChem CID161167335
Molecular FormulaC14H30O12
Molecular Weight390.38 g/mol
Exact Mass390.17
IUPAC Namedimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
SMILESCC(O)CO.CO.COC(=O)OC.COC(=O)OCC(C)OC(=O)OC
InChIInChI=1S/C7H12O6.C3H6O3.C3H8O2.CH4O/c1-5(13-7(9)11-3)4-12-6(8)10-2;1-5-3(4)6-2;1-3(5)2-4;1-2/h5H,4H2,1-3H3;1-2H3;3-5H,2H2,1H3;2H,1H3
InChIKeyUQSJAWJTJKXFDF-UHFFFAOYSA-N
XLogP0.31
TPSA167.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.38
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

1-O-[2-(2-hydroxypropoxycarbonyloxy)propyl] 3-O-[2-(2-methoxypropoxycarbonyloxy)propyl] propanedioate
CID 88542811
2-[3-hydroxy-2-(2-hydroxypropoxy)propoxy]carbonyloxypropyl [2-(2-hydroxypropoxy)-3-methoxypropyl] carbonate
CID 18965870
[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
1-carboxyoxypropan-2-yl hydrogen carbonate;dimethyl carbonate
CID 87918365
1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
CID 153444400
2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
CID 58422700
tert-butyl 1-(1-hydroxypropan-2-yloxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(1-hydroxypropan-2-yloxycarbonyloxy)propyl carbonate;tert-butyl 1-(2-hydroxypropoxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(2-hydroxypropoxycarbonyloxy)propyl carbonate
CID 158897155
4-methoxycarbonyloxybutan-2-yl methyl carbonate
CID 102005432
1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
CID 130266239
acetic acid;methanol;methoxymethane;propane-1,2-diol
CID 174829154
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol?
The IUPAC name of dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol (CID 161167335) is dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol.
What is the SMILES notation for dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol?
The canonical SMILES for dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol is CC(O)CO.CO.COC(=O)OC.COC(=O)OCC(C)OC(=O)OC.
What is the InChIKey of dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol?
The InChIKey is UQSJAWJTJKXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6.C3H6O3.C3H8O2.CH4O/c1-5(13-7(9)11-3)4-12-6(8)10-2;1-5-3(4)6-2;1-3(5)2-4;1-2/h5H,4H2,1-3H3;1-2H3;3-5H,2H2,1H3;2H,1H3.
What are the key properties of dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol?
dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol has a molecular weight of 390.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol is sourced from PubChem (CID 161167335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).