2,2-dimethylpropyl hypochlorite

C5H11ClO — CID 12583348

IUPAC2,2-dimethylpropyl hypochlorite
SMILESCC(C)(C)COCl
InChIInChI=1S/C5H11ClO/c1-5(2,3)4-7-6/h4H2,1-3H3
InChIKeyJJWDMMNIHAUZOL-UHFFFAOYSA-N
MW122.59 g/mol
LogP2.20
Rot. Bonds1

About 2,2-dimethylpropyl hypochlorite

2,2-dimethylpropyl hypochlorite (PubChem CID 12583348) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is 2,2-dimethylpropyl hypochlorite.

Molecular Properties

Compound Name2,2-dimethylpropyl hypochlorite
PubChem CID12583348
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name2,2-dimethylpropyl hypochlorite
SMILESCC(C)(C)COCl
InChIInChI=1S/C5H11ClO/c1-5(2,3)4-7-6/h4H2,1-3H3
InChIKeyJJWDMMNIHAUZOL-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl hypochlorite?
The IUPAC name of 2,2-dimethylpropyl hypochlorite (CID 12583348) is 2,2-dimethylpropyl hypochlorite.
What is the SMILES notation for 2,2-dimethylpropyl hypochlorite?
The canonical SMILES for 2,2-dimethylpropyl hypochlorite is CC(C)(C)COCl.
What is the InChIKey of 2,2-dimethylpropyl hypochlorite?
The InChIKey is JJWDMMNIHAUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-5(2,3)4-7-6/h4H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl hypochlorite?
2,2-dimethylpropyl hypochlorite has a molecular weight of 122.59 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl hypochlorite is sourced from PubChem (CID 12583348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).