2-methylpentan-3-yl hypochlorite

C6H13ClO — CID 54130846

IUPAC2-methylpentan-3-yl hypochlorite
SMILESCCC(OCl)C(C)C
InChIInChI=1S/C6H13ClO/c1-4-6(8-7)5(2)3/h5-6H,4H2,1-3H3
InChIKeyNUFZERNKTPMWAU-UHFFFAOYSA-N
MW136.62 g/mol
LogP2.59
Rot. Bonds3

About 2-methylpentan-3-yl hypochlorite

2-methylpentan-3-yl hypochlorite (PubChem CID 54130846) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is 2-methylpentan-3-yl hypochlorite.

Molecular Properties

Compound Name2-methylpentan-3-yl hypochlorite
PubChem CID54130846
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name2-methylpentan-3-yl hypochlorite
SMILESCCC(OCl)C(C)C
InChIInChI=1S/C6H13ClO/c1-4-6(8-7)5(2)3/h5-6H,4H2,1-3H3
InChIKeyNUFZERNKTPMWAU-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methylpentan-3-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

Lithium 2,4-dimethylpentan-3-olate
CID 20660709
Lithium 4-methylpentan-2-olate
CID 23721639
4-Methylpentan-2-yl hypofluorite
CID 175909141
3-Methoxy-2-methylpentane
CID 17820198
CID 18462333
CID 18462333
3-Methylbutan-2-olate
CID 22496794
Lithium 2-methylpentan-3-olate
CID 23698378
Sodium 2,4-dimethylpentan-3-olate
CID 23710704
3-Methylbutan-2-yl hypochlorite
CID 53870114
5-Methylhexan-2-yl hypochlorite
CID 53948203
5-Methylhexan-3-yl hypochlorite
CID 53965942
2,2-Dimethylpentan-3-yl hypochlorite
CID 53979860

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-3-yl hypochlorite?
The IUPAC name of 2-methylpentan-3-yl hypochlorite (CID 54130846) is 2-methylpentan-3-yl hypochlorite.
What is the SMILES notation for 2-methylpentan-3-yl hypochlorite?
The canonical SMILES for 2-methylpentan-3-yl hypochlorite is CCC(OCl)C(C)C.
What is the InChIKey of 2-methylpentan-3-yl hypochlorite?
The InChIKey is NUFZERNKTPMWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO/c1-4-6(8-7)5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-methylpentan-3-yl hypochlorite?
2-methylpentan-3-yl hypochlorite has a molecular weight of 136.62 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-yl hypochlorite is sourced from PubChem (CID 54130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).