2-chloroprop-2-enyl hydrogen carbonate

C4H5ClO3 — CID 22386377

IUPAC2-chloroprop-2-enyl hydrogen carbonate
SMILESC=C(Cl)COC(=O)O
InChIInChI=1S/C4H5ClO3/c1-3(5)2-8-4(6)7/h1-2H2,(H,6,7)
InChIKeyQZACTDBNKJBXLM-UHFFFAOYSA-N
MW136.53 g/mol
LogP1.43
Rot. Bonds2

About 2-chloroprop-2-enyl hydrogen carbonate

2-chloroprop-2-enyl hydrogen carbonate (PubChem CID 22386377) has the molecular formula C4H5ClO3 and a molecular weight of 136.53 g/mol. Its IUPAC name is 2-chloroprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name2-chloroprop-2-enyl hydrogen carbonate
PubChem CID22386377
Molecular FormulaC4H5ClO3
Molecular Weight136.53 g/mol
Exact Mass135.99
IUPAC Name2-chloroprop-2-enyl hydrogen carbonate
SMILESC=C(Cl)COC(=O)O
InChIInChI=1S/C4H5ClO3/c1-3(5)2-8-4(6)7/h1-2H2,(H,6,7)
InChIKeyQZACTDBNKJBXLM-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.53
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl hydrogen carbonate?
The IUPAC name of 2-chloroprop-2-enyl hydrogen carbonate (CID 22386377) is 2-chloroprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 2-chloroprop-2-enyl hydrogen carbonate?
The canonical SMILES for 2-chloroprop-2-enyl hydrogen carbonate is C=C(Cl)COC(=O)O.
What is the InChIKey of 2-chloroprop-2-enyl hydrogen carbonate?
The InChIKey is QZACTDBNKJBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3/c1-3(5)2-8-4(6)7/h1-2H2,(H,6,7).
What are the key properties of 2-chloroprop-2-enyl hydrogen carbonate?
2-chloroprop-2-enyl hydrogen carbonate has a molecular weight of 136.53 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 22386377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).