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

C8H14O4 — CID 87978732

IUPAC2-ethoxyethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCCOCC
InChIInChI=1S/C8H14O4/c1-4-10-5-6-11-8(9)12-7(2)3/h2,4-6H2,1,3H3
InChIKeyHUCAUHWBGXAQRD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.71
Rot. Bonds5

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

2-ethoxyethyl prop-1-en-2-yl carbonate (PubChem CID 87978732) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethoxyethyl prop-1-en-2-yl carbonate.

Molecular Properties

Compound Name2-ethoxyethyl prop-1-en-2-yl carbonate
PubChem CID87978732
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-ethoxyethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCCOCC
InChIInChI=1S/C8H14O4/c1-4-10-5-6-11-8(9)12-7(2)3/h2,4-6H2,1,3H3
InChIKeyHUCAUHWBGXAQRD-UHFFFAOYSA-N
XLogP1.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxycarbonyloxyprop-1-en-2-yl acetate
CID 13700884
2-[2-(Prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate
CID 21053366
Ethoxymethyl prop-1-en-2-yl carbonate
CID 22267004
1-Ethoxyethyl prop-1-en-2-yl carbonate
CID 22267059
2-[1-Ethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
CID 22491588
2-[1,1-Diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
CID 22491591
4-(Prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one
CID 23506120
1-Ethenoxycarbonyloxypropan-2-yl ethenyl carbonate
CID 53973717
4-Methyl-1,3-dioxolan-2-one;2-prop-1-en-2-yloxyprop-1-ene
CID 66593448
2-Ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one
CID 66850962
Ethyl prop-1-en-2-yl carbonate;propane
CID 88770385
4-Prop-1-en-2-yloxy-1,3-dioxolan-2-one
CID 89859023

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl prop-1-en-2-yl carbonate?
The IUPAC name of 2-ethoxyethyl prop-1-en-2-yl carbonate (CID 87978732) is 2-ethoxyethyl prop-1-en-2-yl carbonate.
What is the SMILES notation for 2-ethoxyethyl prop-1-en-2-yl carbonate?
The canonical SMILES for 2-ethoxyethyl prop-1-en-2-yl carbonate is C=C(C)OC(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl prop-1-en-2-yl carbonate?
The InChIKey is HUCAUHWBGXAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-10-5-6-11-8(9)12-7(2)3/h2,4-6H2,1,3H3.
What are the key properties of 2-ethoxyethyl prop-1-en-2-yl carbonate?
2-ethoxyethyl prop-1-en-2-yl carbonate has a molecular weight of 174.20 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl prop-1-en-2-yl carbonate is sourced from PubChem (CID 87978732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).