dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one

C14H24O12 — CID 174559201

IUPACdimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOC(=O)OC.COC(=O)OC.O=C1OCCO1
InChIInChI=1S/C4H6O3.C4H8O3.C3H4O3.C3H6O3/c1-3-2-6-4(5)7-3;1-3-7-4(5)6-2;4-3-5-1-2-6-3;1-5-3(4)6-2/h3H,2H2,1H3;3H2,1-2H3;1-2H2;1-2H3
InChIKeyGRHQQFRWWIUKJW-UHFFFAOYSA-N
MW384.33 g/mol
LogP1.88
Rot. Bonds1

About dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one

dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one (PubChem CID 174559201) has the molecular formula C14H24O12 and a molecular weight of 384.33 g/mol. Its IUPAC name is dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Namedimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
PubChem CID174559201
Molecular FormulaC14H24O12
Molecular Weight384.33 g/mol
Exact Mass384.13
IUPAC Namedimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOC(=O)OC.COC(=O)OC.O=C1OCCO1
InChIInChI=1S/C4H6O3.C4H8O3.C3H4O3.C3H6O3/c1-3-2-6-4(5)7-3;1-3-7-4(5)6-2;4-3-5-1-2-6-3;1-5-3(4)6-2/h3H,2H2,1H3;3H2,1-2H3;1-2H2;1-2H3
InChIKeyGRHQQFRWWIUKJW-UHFFFAOYSA-N
XLogP1.88
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one;oxolan-2-one
CID 174573049
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
1,3-dioxolan-2-one;4-methyl-1,3-dioxolan-2-one;pentyl acetate
CID 175300180
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
CID 174922759
carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
CID 174573576
CID 175269376
CID 175269376
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
formamide;4-methyl-1,3-dioxolan-2-one
CID 157162326

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one (CID 174559201) is dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.CCOC(=O)OC.COC(=O)OC.O=C1OCCO1.
What is the InChIKey of dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
The InChIKey is GRHQQFRWWIUKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C4H8O3.C3H4O3.C3H6O3/c1-3-2-6-4(5)7-3;1-3-7-4(5)6-2;4-3-5-1-2-6-3;1-5-3(4)6-2/h3H,2H2,1H3;3H2,1-2H3;1-2H2;1-2H3.
What are the key properties of dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one has a molecular weight of 384.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 174559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).