2-bromoprop-2-enyl hydrogen carbonate

C4H5BrO3 — CID 22386375

IUPAC2-bromoprop-2-enyl hydrogen carbonate
SMILESC=C(Br)COC(=O)O
InChIInChI=1S/C4H5BrO3/c1-3(5)2-8-4(6)7/h1-2H2,(H,6,7)
InChIKeyZGTARZSAYMEZQI-UHFFFAOYSA-N
MW180.98 g/mol
LogP1.59
Rot. Bonds2

About 2-bromoprop-2-enyl hydrogen carbonate

2-bromoprop-2-enyl hydrogen carbonate (PubChem CID 22386375) has the molecular formula C4H5BrO3 and a molecular weight of 180.98 g/mol. Its IUPAC name is 2-bromoprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name2-bromoprop-2-enyl hydrogen carbonate
PubChem CID22386375
Molecular FormulaC4H5BrO3
Molecular Weight180.98 g/mol
Exact Mass179.94
IUPAC Name2-bromoprop-2-enyl hydrogen carbonate
SMILESC=C(Br)COC(=O)O
InChIInChI=1S/C4H5BrO3/c1-3(5)2-8-4(6)7/h1-2H2,(H,6,7)
InChIKeyZGTARZSAYMEZQI-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.98
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-2-enyl hydrogen carbonate?
The IUPAC name of 2-bromoprop-2-enyl hydrogen carbonate (CID 22386375) is 2-bromoprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 2-bromoprop-2-enyl hydrogen carbonate?
The canonical SMILES for 2-bromoprop-2-enyl hydrogen carbonate is C=C(Br)COC(=O)O.
What is the InChIKey of 2-bromoprop-2-enyl hydrogen carbonate?
The InChIKey is ZGTARZSAYMEZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrO3/c1-3(5)2-8-4(6)7/h1-2H2,(H,6,7).
What are the key properties of 2-bromoprop-2-enyl hydrogen carbonate?
2-bromoprop-2-enyl hydrogen carbonate has a molecular weight of 180.98 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 22386375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).