2-bromoethyl prop-2-enyl carbonate

C6H9BrO3 — CID 158726189

IUPAC2-bromoethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCBr
InChIInChI=1S/C6H9BrO3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2
InChIKeyLJZIUWWTWIISGE-UHFFFAOYSA-N
MW209.04 g/mol
LogP1.72
Rot. Bonds4

About 2-bromoethyl prop-2-enyl carbonate

2-bromoethyl prop-2-enyl carbonate (PubChem CID 158726189) has the molecular formula C6H9BrO3 and a molecular weight of 209.04 g/mol. Its IUPAC name is 2-bromoethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-bromoethyl prop-2-enyl carbonate
PubChem CID158726189
Molecular FormulaC6H9BrO3
Molecular Weight209.04 g/mol
Exact Mass207.97
IUPAC Name2-bromoethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCBr
InChIInChI=1S/C6H9BrO3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2
InChIKeyLJZIUWWTWIISGE-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
Ethenyl prop-2-enyl carbonate
CID 14122298
Carbonic acid, allyl propyl ester
CID 6420256
3-Bromopropenylmethylcarbonate
CID 176514607
[(Z)-4-bromobut-2-enyl] methyl carbonate
CID 14924690
Bromo prop-2-enyl carbonate
CID 54464158
1-Bromoprop-2-enyl hydrogen carbonate
CID 57084772
Bis(prop-2-enyl) carbonate;hydrochloride
CID 87999118
Bis(1-bromoprop-2-enyl) carbonate
CID 88469170
4-(1-Bromoprop-2-enoxycarbonyloxy)butyl 1-bromoprop-2-enyl carbonate
CID 88479691

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl prop-2-enyl carbonate?
The IUPAC name of 2-bromoethyl prop-2-enyl carbonate (CID 158726189) is 2-bromoethyl prop-2-enyl carbonate.
What is the SMILES notation for 2-bromoethyl prop-2-enyl carbonate?
The canonical SMILES for 2-bromoethyl prop-2-enyl carbonate is C=CCOC(=O)OCCBr.
What is the InChIKey of 2-bromoethyl prop-2-enyl carbonate?
The InChIKey is LJZIUWWTWIISGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2.
What are the key properties of 2-bromoethyl prop-2-enyl carbonate?
2-bromoethyl prop-2-enyl carbonate has a molecular weight of 209.04 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl prop-2-enyl carbonate is sourced from PubChem (CID 158726189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).