2-methylbutan-2-yl hypochlorite

C5H11ClO — CID 19883792

IUPAC2-methylbutan-2-yl hypochlorite
SMILESCCC(C)(C)OCl
InChIInChI=1S/C5H11ClO/c1-4-5(2,3)7-6/h4H2,1-3H3
InChIKeyNGMZATOLCPDHHH-UHFFFAOYSA-N
MW122.59 g/mol
LogP2.35
Rot. Bonds2

About 2-methylbutan-2-yl hypochlorite

2-methylbutan-2-yl hypochlorite (PubChem CID 19883792) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is 2-methylbutan-2-yl hypochlorite.

Molecular Properties

Compound Name2-methylbutan-2-yl hypochlorite
PubChem CID19883792
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name2-methylbutan-2-yl hypochlorite
SMILESCCC(C)(C)OCl
InChIInChI=1S/C5H11ClO/c1-4-5(2,3)7-6/h4H2,1-3H3
InChIKeyNGMZATOLCPDHHH-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl hypochlorite?
The IUPAC name of 2-methylbutan-2-yl hypochlorite (CID 19883792) is 2-methylbutan-2-yl hypochlorite.
What is the SMILES notation for 2-methylbutan-2-yl hypochlorite?
The canonical SMILES for 2-methylbutan-2-yl hypochlorite is CCC(C)(C)OCl.
What is the InChIKey of 2-methylbutan-2-yl hypochlorite?
The InChIKey is NGMZATOLCPDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-4-5(2,3)7-6/h4H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl hypochlorite?
2-methylbutan-2-yl hypochlorite has a molecular weight of 122.59 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl hypochlorite is sourced from PubChem (CID 19883792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).