oxolan-2-ylmethyl hypochlorite

C5H9ClO2 — CID 22491519

IUPACoxolan-2-ylmethyl hypochlorite
SMILESClOCC1CCCO1
InChIInChI=1S/C5H9ClO2/c6-8-4-5-2-1-3-7-5/h5H,1-4H2
InChIKeyUWXYGZJUKRIGEH-UHFFFAOYSA-N
MW136.58 g/mol
LogP1.34
Rot. Bonds2

About oxolan-2-ylmethyl hypochlorite

oxolan-2-ylmethyl hypochlorite (PubChem CID 22491519) has the molecular formula C5H9ClO2 and a molecular weight of 136.58 g/mol. Its IUPAC name is oxolan-2-ylmethyl hypochlorite.

Molecular Properties

Compound Nameoxolan-2-ylmethyl hypochlorite
PubChem CID22491519
Molecular FormulaC5H9ClO2
Molecular Weight136.58 g/mol
Exact Mass136.03
IUPAC Nameoxolan-2-ylmethyl hypochlorite
SMILESClOCC1CCCO1
InChIInChI=1S/C5H9ClO2/c6-8-4-5-2-1-3-7-5/h5H,1-4H2
InChIKeyUWXYGZJUKRIGEH-UHFFFAOYSA-N
XLogP1.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl hypochlorite?
The IUPAC name of oxolan-2-ylmethyl hypochlorite (CID 22491519) is oxolan-2-ylmethyl hypochlorite.
What is the SMILES notation for oxolan-2-ylmethyl hypochlorite?
The canonical SMILES for oxolan-2-ylmethyl hypochlorite is ClOCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl hypochlorite?
The InChIKey is UWXYGZJUKRIGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2/c6-8-4-5-2-1-3-7-5/h5H,1-4H2.
What are the key properties of oxolan-2-ylmethyl hypochlorite?
oxolan-2-ylmethyl hypochlorite has a molecular weight of 136.58 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl hypochlorite is sourced from PubChem (CID 22491519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).