1-ethoxyethyl prop-1-en-2-yl carbonate

C8H14O4 — CID 22267059

IUPAC1-ethoxyethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OC(C)OCC
InChIInChI=1S/C8H14O4/c1-5-10-7(4)12-8(9)11-6(2)3/h7H,2,5H2,1,3-4H3
InChIKeyQARHYJAHXOIXEC-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.06
Rot. Bonds4

About 1-ethoxyethyl prop-1-en-2-yl carbonate

1-ethoxyethyl prop-1-en-2-yl carbonate (PubChem CID 22267059) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-ethoxyethyl prop-1-en-2-yl carbonate.

Molecular Properties

Compound Name1-ethoxyethyl prop-1-en-2-yl carbonate
PubChem CID22267059
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name1-ethoxyethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OC(C)OCC
InChIInChI=1S/C8H14O4/c1-5-10-7(4)12-8(9)11-6(2)3/h7H,2,5H2,1,3-4H3
InChIKeyQARHYJAHXOIXEC-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl prop-1-en-2-yl carbonate?
The IUPAC name of 1-ethoxyethyl prop-1-en-2-yl carbonate (CID 22267059) is 1-ethoxyethyl prop-1-en-2-yl carbonate.
What is the SMILES notation for 1-ethoxyethyl prop-1-en-2-yl carbonate?
The canonical SMILES for 1-ethoxyethyl prop-1-en-2-yl carbonate is C=C(C)OC(=O)OC(C)OCC.
What is the InChIKey of 1-ethoxyethyl prop-1-en-2-yl carbonate?
The InChIKey is QARHYJAHXOIXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-10-7(4)12-8(9)11-6(2)3/h7H,2,5H2,1,3-4H3.
What are the key properties of 1-ethoxyethyl prop-1-en-2-yl carbonate?
1-ethoxyethyl prop-1-en-2-yl carbonate has a molecular weight of 174.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl prop-1-en-2-yl carbonate is sourced from PubChem (CID 22267059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).