1-chlorooxybutan-2-yl hypochlorite

C4H8Cl2O2 — CID 89092883

IUPAC1-chlorooxybutan-2-yl hypochlorite
SMILESCCC(COCl)OCl
InChIInChI=1S/C4H8Cl2O2/c1-2-4(8-6)3-7-5/h4H,2-3H2,1H3
InChIKeyISDNKXYXIXMXAL-UHFFFAOYSA-N
MW159.01 g/mol
LogP2.11
Rot. Bonds4

About 1-chlorooxybutan-2-yl hypochlorite

1-chlorooxybutan-2-yl hypochlorite (PubChem CID 89092883) has the molecular formula C4H8Cl2O2 and a molecular weight of 159.01 g/mol. Its IUPAC name is 1-chlorooxybutan-2-yl hypochlorite.

Molecular Properties

Compound Name1-chlorooxybutan-2-yl hypochlorite
PubChem CID89092883
Molecular FormulaC4H8Cl2O2
Molecular Weight159.01 g/mol
Exact Mass157.99
IUPAC Name1-chlorooxybutan-2-yl hypochlorite
SMILESCCC(COCl)OCl
InChIInChI=1S/C4H8Cl2O2/c1-2-4(8-6)3-7-5/h4H,2-3H2,1H3
InChIKeyISDNKXYXIXMXAL-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.01
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chlorooxybutan-2-yl hypochlorite?
The IUPAC name of 1-chlorooxybutan-2-yl hypochlorite (CID 89092883) is 1-chlorooxybutan-2-yl hypochlorite.
What is the SMILES notation for 1-chlorooxybutan-2-yl hypochlorite?
The canonical SMILES for 1-chlorooxybutan-2-yl hypochlorite is CCC(COCl)OCl.
What is the InChIKey of 1-chlorooxybutan-2-yl hypochlorite?
The InChIKey is ISDNKXYXIXMXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2/c1-2-4(8-6)3-7-5/h4H,2-3H2,1H3.
What are the key properties of 1-chlorooxybutan-2-yl hypochlorite?
1-chlorooxybutan-2-yl hypochlorite has a molecular weight of 159.01 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorooxybutan-2-yl hypochlorite is sourced from PubChem (CID 89092883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).