chloromethyl hypochlorite;methane

C4H14Cl2O — CID 161366929

IUPACchloromethyl hypochlorite;methane
SMILESC.C.C.ClCOCl
InChIInChI=1S/CH2Cl2O.3CH4/c2-1-4-3;;;/h1H2;3*1H4
InChIKeyVPXYNLBDWCPWDQ-UHFFFAOYSA-N
MW149.06 g/mol
LogP3.26
Rot. Bonds1

About chloromethyl hypochlorite;methane

chloromethyl hypochlorite;methane (PubChem CID 161366929) has the molecular formula C4H14Cl2O and a molecular weight of 149.06 g/mol. Its IUPAC name is chloromethyl hypochlorite;methane.

Molecular Properties

Compound Namechloromethyl hypochlorite;methane
PubChem CID161366929
Molecular FormulaC4H14Cl2O
Molecular Weight149.06 g/mol
Exact Mass148.04
IUPAC Namechloromethyl hypochlorite;methane
SMILESC.C.C.ClCOCl
InChIInChI=1S/CH2Cl2O.3CH4/c2-1-4-3;;;/h1H2;3*1H4
InChIKeyVPXYNLBDWCPWDQ-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.06
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl hypochlorite;methane?
The IUPAC name of chloromethyl hypochlorite;methane (CID 161366929) is chloromethyl hypochlorite;methane.
What is the SMILES notation for chloromethyl hypochlorite;methane?
The canonical SMILES for chloromethyl hypochlorite;methane is C.C.C.ClCOCl.
What is the InChIKey of chloromethyl hypochlorite;methane?
The InChIKey is VPXYNLBDWCPWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2O.3CH4/c2-1-4-3;;;/h1H2;3*1H4.
What are the key properties of chloromethyl hypochlorite;methane?
chloromethyl hypochlorite;methane has a molecular weight of 149.06 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl hypochlorite;methane is sourced from PubChem (CID 161366929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).