bis(ethenyl) carbonate;ethane

C7H12O3 — CID 174908803

IUPACbis(ethenyl) carbonate;ethane
SMILESC=COC(=O)OC=C.CC
InChIInChI=1S/C5H6O3.C2H6/c1-3-7-5(6)8-4-2;1-2/h3-4H,1-2H2;1-2H3
InChIKeyNVQWSQLBBISUSJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.45
Rot. Bonds2

About bis(ethenyl) carbonate;ethane

bis(ethenyl) carbonate;ethane (PubChem CID 174908803) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is bis(ethenyl) carbonate;ethane.

Molecular Properties

Compound Namebis(ethenyl) carbonate;ethane
PubChem CID174908803
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namebis(ethenyl) carbonate;ethane
SMILESC=COC(=O)OC=C.CC
InChIInChI=1S/C5H6O3.C2H6/c1-3-7-5(6)8-4-2;1-2/h3-4H,1-2H2;1-2H3
InChIKeyNVQWSQLBBISUSJ-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) carbonate;ethane?
The IUPAC name of bis(ethenyl) carbonate;ethane (CID 174908803) is bis(ethenyl) carbonate;ethane.
What is the SMILES notation for bis(ethenyl) carbonate;ethane?
The canonical SMILES for bis(ethenyl) carbonate;ethane is C=COC(=O)OC=C.CC.
What is the InChIKey of bis(ethenyl) carbonate;ethane?
The InChIKey is NVQWSQLBBISUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C2H6/c1-3-7-5(6)8-4-2;1-2/h3-4H,1-2H2;1-2H3.
What are the key properties of bis(ethenyl) carbonate;ethane?
bis(ethenyl) carbonate;ethane has a molecular weight of 144.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) carbonate;ethane is sourced from PubChem (CID 174908803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).