2-methylpropoxymethyl hypochlorite

C5H11ClO2 — CID 122692331

IUPAC2-methylpropoxymethyl hypochlorite
SMILESCC(C)COCOCl
InChIInChI=1S/C5H11ClO2/c1-5(2)3-7-4-8-6/h5H,3-4H2,1-2H3
InChIKeyZLNJSRJAXUNLRB-UHFFFAOYSA-N
MW138.59 g/mol
LogP1.79
Rot. Bonds4

About 2-methylpropoxymethyl hypochlorite

2-methylpropoxymethyl hypochlorite (PubChem CID 122692331) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is 2-methylpropoxymethyl hypochlorite.

Molecular Properties

Compound Name2-methylpropoxymethyl hypochlorite
PubChem CID122692331
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Name2-methylpropoxymethyl hypochlorite
SMILESCC(C)COCOCl
InChIInChI=1S/C5H11ClO2/c1-5(2)3-7-4-8-6/h5H,3-4H2,1-2H3
InChIKeyZLNJSRJAXUNLRB-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane
CID 19753155
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
dichloro-bis(2-methylpropoxy)silane
CID 23432777
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
(E)-3-chloro-1-(2-methylpropoxy)but-2-ene
CID 169180662
1,2-bis(2-methylpropoxymethyl)cyclopentane
CID 90987862
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxymethyl hypochlorite?
The IUPAC name of 2-methylpropoxymethyl hypochlorite (CID 122692331) is 2-methylpropoxymethyl hypochlorite.
What is the SMILES notation for 2-methylpropoxymethyl hypochlorite?
The canonical SMILES for 2-methylpropoxymethyl hypochlorite is CC(C)COCOCl.
What is the InChIKey of 2-methylpropoxymethyl hypochlorite?
The InChIKey is ZLNJSRJAXUNLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2/c1-5(2)3-7-4-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-methylpropoxymethyl hypochlorite?
2-methylpropoxymethyl hypochlorite has a molecular weight of 138.59 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxymethyl hypochlorite is sourced from PubChem (CID 122692331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).