dimethyl carbonate;methyl phenyl carbonate

C11H14O6 — CID 70311897

IUPACdimethyl carbonate;methyl phenyl carbonate
SMILESCOC(=O)OC.COC(=O)Oc1ccccc1
InChIInChI=1S/C8H8O3.C3H6O3/c1-10-8(9)11-7-5-3-2-4-6-7;1-5-3(4)6-2/h2-6H,1H3;1-2H3
InChIKeyDHZGCOANJILENT-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.23
Rot. Bonds1

About dimethyl carbonate;methyl phenyl carbonate

dimethyl carbonate;methyl phenyl carbonate (PubChem CID 70311897) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is dimethyl carbonate;methyl phenyl carbonate.

Molecular Properties

Compound Namedimethyl carbonate;methyl phenyl carbonate
PubChem CID70311897
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namedimethyl carbonate;methyl phenyl carbonate
SMILESCOC(=O)OC.COC(=O)Oc1ccccc1
InChIInChI=1S/C8H8O3.C3H6O3/c1-10-8(9)11-7-5-3-2-4-6-7;1-5-3(4)6-2/h2-6H,1H3;1-2H3
InChIKeyDHZGCOANJILENT-UHFFFAOYSA-N
XLogP2.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl phenyl carbonate
CID 91113838
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
methyl (4-phenoxyphenyl) carbonate
CID 19704468
dibenzofuran;methyl phenyl carbonate
CID 158446922
phenyl (2S)-2-methoxypropanoate
CID 12621314
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
diphenyl carbonate;ethane;molecular iodine
CID 159087497
diphenyl carbonate;phenyl acetate
CID 90936233
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;methyl phenyl carbonate?
The IUPAC name of dimethyl carbonate;methyl phenyl carbonate (CID 70311897) is dimethyl carbonate;methyl phenyl carbonate.
What is the SMILES notation for dimethyl carbonate;methyl phenyl carbonate?
The canonical SMILES for dimethyl carbonate;methyl phenyl carbonate is COC(=O)OC.COC(=O)Oc1ccccc1.
What is the InChIKey of dimethyl carbonate;methyl phenyl carbonate?
The InChIKey is DHZGCOANJILENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C3H6O3/c1-10-8(9)11-7-5-3-2-4-6-7;1-5-3(4)6-2/h2-6H,1H3;1-2H3.
What are the key properties of dimethyl carbonate;methyl phenyl carbonate?
dimethyl carbonate;methyl phenyl carbonate has a molecular weight of 242.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;methyl phenyl carbonate is sourced from PubChem (CID 70311897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).