propan-2-yl hypochlorite

C3H7ClO — CID 12936775

IUPACpropan-2-yl hypochlorite
SMILESCC(C)OCl
InChIInChI=1S/C3H7ClO/c1-3(2)5-4/h3H,1-2H3
InChIKeyBIZGMTWBKDPTLH-UHFFFAOYSA-N
MW94.54 g/mol
LogP1.57
Rot. Bonds1

About propan-2-yl hypochlorite

propan-2-yl hypochlorite (PubChem CID 12936775) has the molecular formula C3H7ClO and a molecular weight of 94.54 g/mol. Its IUPAC name is propan-2-yl hypochlorite.

Molecular Properties

Compound Namepropan-2-yl hypochlorite
PubChem CID12936775
Molecular FormulaC3H7ClO
Molecular Weight94.54 g/mol
Exact Mass94.02
IUPAC Namepropan-2-yl hypochlorite
SMILESCC(C)OCl
InChIInChI=1S/C3H7ClO/c1-3(2)5-4/h3H,1-2H3
InChIKeyBIZGMTWBKDPTLH-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

Analyze propan-2-yl hypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propanol, sodium salt (1:1)
CID 10920443
Potassium propan-2-olate
CID 23663646
Lithium propan-2-olate
CID 23673350
Isopropanolate
CID 3260420
1-Methyl ethoxy radical
CID 138083
Hypochlorous acid, propyl ester
CID 10986156
2-Propanol perchlorate
CID 20394880
Isopropoxygallium dihydride
CID 66545827
Chlorooxy isopropylate
CID 129760220
Isopropyl hypobromite
CID 129764657
Chloro(propan-2-olato)magnesium
CID 94098
Propan-2-yl hypofluorite
CID 18679080

Frequently Asked Questions

What is the IUPAC name of propan-2-yl hypochlorite?
The IUPAC name of propan-2-yl hypochlorite (CID 12936775) is propan-2-yl hypochlorite.
What is the SMILES notation for propan-2-yl hypochlorite?
The canonical SMILES for propan-2-yl hypochlorite is CC(C)OCl.
What is the InChIKey of propan-2-yl hypochlorite?
The InChIKey is BIZGMTWBKDPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO/c1-3(2)5-4/h3H,1-2H3.
What are the key properties of propan-2-yl hypochlorite?
propan-2-yl hypochlorite has a molecular weight of 94.54 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl hypochlorite is sourced from PubChem (CID 12936775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).