methyl prop-2-enyl carbonate

C5H7O3+ — CID 134847248

IUPACmethyl prop-2-enyl carbonate
SMILES[H]/[C+]=C/COC(=O)OC
InChIInChI=1S/C5H7O3/c1-3-4-8-5(6)7-2/h1,3H,4H2,2H3/q+1
InChIKeyOYMDHTNUCGDKDF-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.76
Rot. Bonds2

About methyl prop-2-enyl carbonate

methyl prop-2-enyl carbonate (PubChem CID 134847248) has the molecular formula C5H7O3+ and a molecular weight of 115.11 g/mol. Its IUPAC name is methyl prop-2-enyl carbonate.

Molecular Properties

Compound Namemethyl prop-2-enyl carbonate
PubChem CID134847248
Molecular FormulaC5H7O3+
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Namemethyl prop-2-enyl carbonate
SMILES[H]/[C+]=C/COC(=O)OC
InChIInChI=1S/C5H7O3/c1-3-4-8-5(6)7-2/h1,3H,4H2,2H3/q+1
InChIKeyOYMDHTNUCGDKDF-UHFFFAOYSA-N
XLogP0.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Carbonic acid, di-2-propen-1-yl ester
CID 84764
Allylethyl carbonate
CID 137020
Methyl 2-propen-1-yl carbonate
CID 534788
Diallyl Pyrocarbonate
CID 4384857
Allyl-t-butylcarbonate
CID 11194471
But-2-ene-1,4-diyl dimethyl biscarbonate
CID 5354075
(E)-But-2-enyl ethyl carbonate
CID 10866458
Hydrogen allyl carbonate
CID 10953437
Allyl trifluoromethyl carbonate
CID 100943399
Methoxymethyl allyl ether
CID 10103132
(e)-But-2-ene-1,4-diyl dimethyl dicarbonate
CID 6081425
Carbonic acid, allyl butyl ester
CID 6420251

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enyl carbonate?
The IUPAC name of methyl prop-2-enyl carbonate (CID 134847248) 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 [H]/[C+]=C/COC(=O)OC.
What is the InChIKey of methyl prop-2-enyl carbonate?
The InChIKey is OYMDHTNUCGDKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O3/c1-3-4-8-5(6)7-2/h1,3H,4H2,2H3/q+1.
What are the key properties of methyl prop-2-enyl carbonate?
methyl prop-2-enyl carbonate has a molecular weight of 115.11 g/mol, XLogP of 0.76, 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 134847248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).