3-bromoprop-2-enyl ethyl carbonate

C6H9BrO3 — CID 164884276

IUPAC3-bromoprop-2-enyl ethyl carbonate
SMILESCCOC(=O)OCC=CBr
InChIInChI=1S/C6H9BrO3/c1-2-9-6(8)10-5-3-4-7/h3-4H,2,5H2,1H3
InChIKeyNIRVQNVMKVVXEF-UHFFFAOYSA-N
MW209.04 g/mol
LogP2.07
Rot. Bonds3

About 3-bromoprop-2-enyl ethyl carbonate

3-bromoprop-2-enyl ethyl carbonate (PubChem CID 164884276) has the molecular formula C6H9BrO3 and a molecular weight of 209.04 g/mol. Its IUPAC name is 3-bromoprop-2-enyl ethyl carbonate.

Molecular Properties

Compound Name3-bromoprop-2-enyl ethyl carbonate
PubChem CID164884276
Molecular FormulaC6H9BrO3
Molecular Weight209.04 g/mol
Exact Mass207.97
IUPAC Name3-bromoprop-2-enyl ethyl carbonate
SMILESCCOC(=O)OCC=CBr
InChIInChI=1S/C6H9BrO3/c1-2-9-6(8)10-5-3-4-7/h3-4H,2,5H2,1H3
InChIKeyNIRVQNVMKVVXEF-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbonic acid, di-2-propen-1-yl ester
CID 84764
Methyl 2-propen-1-yl carbonate
CID 534788
Allylethyl carbonate
CID 137020
Carbonic acid, allyl propyl ester
CID 6420256
(E)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773
CID 134847248
CID 134847248
3-[(1R)-2-bromo-1-ethoxyethoxy]prop-1-ene
CID 139266085
3-Bromopropenylmethylcarbonate
CID 176514607
[(Z)-4-bromobut-2-enyl] methyl carbonate
CID 14924690
(E)-1-bromo-4-(methoxymethoxy)but-2-ene
CID 12136847
Bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane
CID 20510734
Ethoxycarbonyl prop-2-enyl carbonate
CID 21505233

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-2-enyl ethyl carbonate?
The IUPAC name of 3-bromoprop-2-enyl ethyl carbonate (CID 164884276) is 3-bromoprop-2-enyl ethyl carbonate.
What is the SMILES notation for 3-bromoprop-2-enyl ethyl carbonate?
The canonical SMILES for 3-bromoprop-2-enyl ethyl carbonate is CCOC(=O)OCC=CBr.
What is the InChIKey of 3-bromoprop-2-enyl ethyl carbonate?
The InChIKey is NIRVQNVMKVVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO3/c1-2-9-6(8)10-5-3-4-7/h3-4H,2,5H2,1H3.
What are the key properties of 3-bromoprop-2-enyl ethyl carbonate?
3-bromoprop-2-enyl ethyl carbonate has a molecular weight of 209.04 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-2-enyl ethyl carbonate is sourced from PubChem (CID 164884276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).