ethyl methyl carbonate;prop-2-enyl hydrogen carbonate

C8H14O6 — CID 174592666

IUPACethyl methyl carbonate;prop-2-enyl hydrogen carbonate
SMILESC=CCOC(=O)O.CCOC(=O)OC
InChIInChI=1S/C4H8O3.C4H6O3/c1-3-7-4(5)6-2;1-2-3-7-4(5)6/h3H2,1-2H3;2H,1,3H2,(H,5,6)
InChIKeyBCJGTAFOGSNFTE-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.66
Rot. Bonds3

About ethyl methyl carbonate;prop-2-enyl hydrogen carbonate

ethyl methyl carbonate;prop-2-enyl hydrogen carbonate (PubChem CID 174592666) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is ethyl methyl carbonate;prop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Nameethyl methyl carbonate;prop-2-enyl hydrogen carbonate
PubChem CID174592666
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Nameethyl methyl carbonate;prop-2-enyl hydrogen carbonate
SMILESC=CCOC(=O)O.CCOC(=O)OC
InChIInChI=1S/C4H8O3.C4H6O3/c1-3-7-4(5)6-2;1-2-3-7-4(5)6/h3H2,1-2H3;2H,1,3H2,(H,5,6)
InChIKeyBCJGTAFOGSNFTE-UHFFFAOYSA-N
XLogP1.66
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl methyl carbonate;prop-2-enyl hydrogen carbonate?
The IUPAC name of ethyl methyl carbonate;prop-2-enyl hydrogen carbonate (CID 174592666) is ethyl methyl carbonate;prop-2-enyl hydrogen carbonate.
What is the SMILES notation for ethyl methyl carbonate;prop-2-enyl hydrogen carbonate?
The canonical SMILES for ethyl methyl carbonate;prop-2-enyl hydrogen carbonate is C=CCOC(=O)O.CCOC(=O)OC.
What is the InChIKey of ethyl methyl carbonate;prop-2-enyl hydrogen carbonate?
The InChIKey is BCJGTAFOGSNFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H6O3/c1-3-7-4(5)6-2;1-2-3-7-4(5)6/h3H2,1-2H3;2H,1,3H2,(H,5,6).
What are the key properties of ethyl methyl carbonate;prop-2-enyl hydrogen carbonate?
ethyl methyl carbonate;prop-2-enyl hydrogen carbonate has a molecular weight of 206.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl carbonate;prop-2-enyl hydrogen carbonate is sourced from PubChem (CID 174592666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).