methyl prop-2-enyl carbonate

C5H8O3 — CID 534788

IUPACmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC
InChIInChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3
InChIKeyYHLVIDQQTOMBGN-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.96
Rot. Bonds2

About methyl prop-2-enyl carbonate

methyl prop-2-enyl carbonate (PubChem CID 534788) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl prop-2-enyl carbonate.

Molecular Properties

Compound Namemethyl prop-2-enyl carbonate
PubChem CID534788
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Namemethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC
InChIInChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3
InChIKeyYHLVIDQQTOMBGN-UHFFFAOYSA-N
XLogP0.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl prop-2-enyl carbonate?
The IUPAC name of methyl prop-2-enyl carbonate (CID 534788) is methyl prop-2-enyl carbonate.
What is the SMILES notation for methyl prop-2-enyl carbonate?
The canonical SMILES for methyl prop-2-enyl carbonate is C=CCOC(=O)OC.
What is the InChIKey of methyl prop-2-enyl carbonate?
The InChIKey is YHLVIDQQTOMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3.
What are the key properties of methyl prop-2-enyl carbonate?
methyl prop-2-enyl carbonate has a molecular weight of 116.12 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enyl carbonate is sourced from PubChem (CID 534788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).