propyl hypochlorite

C3H7ClO — CID 10986156

IUPACpropyl hypochlorite
SMILESCCCOCl
InChIInChI=1S/C3H7ClO/c1-2-3-5-4/h2-3H2,1H3
InChIKeyPMYRRVREJIBUQU-UHFFFAOYSA-N
MW94.54 g/mol
LogP1.57
Rot. Bonds2

About propyl hypochlorite

propyl hypochlorite (PubChem CID 10986156) has the molecular formula C3H7ClO and a molecular weight of 94.54 g/mol. Its IUPAC name is propyl hypochlorite.

Molecular Properties

Compound Namepropyl hypochlorite
PubChem CID10986156
Molecular FormulaC3H7ClO
Molecular Weight94.54 g/mol
Exact Mass94.02
IUPAC Namepropyl hypochlorite
SMILESCCCOCl
InChIInChI=1S/C3H7ClO/c1-2-3-5-4/h2-3H2,1H3
InChIKeyPMYRRVREJIBUQU-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.54
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propyl hypochlorite?
The IUPAC name of propyl hypochlorite (CID 10986156) is propyl hypochlorite.
What is the SMILES notation for propyl hypochlorite?
The canonical SMILES for propyl hypochlorite is CCCOCl.
What is the InChIKey of propyl hypochlorite?
The InChIKey is PMYRRVREJIBUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO/c1-2-3-5-4/h2-3H2,1H3.
What are the key properties of propyl hypochlorite?
propyl hypochlorite has a molecular weight of 94.54 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propyl hypochlorite is sourced from PubChem (CID 10986156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).