methyl prop-1-en-2-yl carbonate

C5H8O3 — CID 12632746

IUPACmethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OC
InChIInChI=1S/C5H8O3/c1-4(2)8-5(6)7-3/h1H2,2-3H3
InChIKeySFIYEZRUWWEQPM-UHFFFAOYSA-N
MW116.12 g/mol
LogP1.30
Rot. Bonds1

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

methyl prop-1-en-2-yl carbonate (PubChem CID 12632746) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl prop-1-en-2-yl carbonate.

Molecular Properties

Compound Namemethyl prop-1-en-2-yl carbonate
PubChem CID12632746
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Namemethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OC
InChIInChI=1S/C5H8O3/c1-4(2)8-5(6)7-3/h1H2,2-3H3
InChIKeySFIYEZRUWWEQPM-UHFFFAOYSA-N
XLogP1.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 51.30
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 methyl prop-1-en-2-yl carbonate?
The IUPAC name of methyl prop-1-en-2-yl carbonate (CID 12632746) is methyl prop-1-en-2-yl carbonate.
What is the SMILES notation for methyl prop-1-en-2-yl carbonate?
The canonical SMILES for methyl prop-1-en-2-yl carbonate is C=C(C)OC(=O)OC.
What is the InChIKey of methyl prop-1-en-2-yl carbonate?
The InChIKey is SFIYEZRUWWEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-4(2)8-5(6)7-3/h1H2,2-3H3.
What are the key properties of methyl prop-1-en-2-yl carbonate?
methyl prop-1-en-2-yl carbonate has a molecular weight of 116.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-1-en-2-yl carbonate is sourced from PubChem (CID 12632746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).