acetic acid;2-methoxyethyl hypochlorite

C5H11ClO4 — CID 174503241

IUPACacetic acid;2-methoxyethyl hypochlorite
SMILESCC(=O)O.COCCOCl
InChIInChI=1S/C3H7ClO2.C2H4O2/c1-5-2-3-6-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)
InChIKeyHVHRINLBODMXCX-UHFFFAOYSA-N
MW170.59 g/mol
LogP0.89
Rot. Bonds3

About acetic acid;2-methoxyethyl hypochlorite

acetic acid;2-methoxyethyl hypochlorite (PubChem CID 174503241) has the molecular formula C5H11ClO4 and a molecular weight of 170.59 g/mol. Its IUPAC name is acetic acid;2-methoxyethyl hypochlorite.

Molecular Properties

Compound Nameacetic acid;2-methoxyethyl hypochlorite
PubChem CID174503241
Molecular FormulaC5H11ClO4
Molecular Weight170.59 g/mol
Exact Mass170.03
IUPAC Nameacetic acid;2-methoxyethyl hypochlorite
SMILESCC(=O)O.COCCOCl
InChIInChI=1S/C3H7ClO2.C2H4O2/c1-5-2-3-6-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)
InChIKeyHVHRINLBODMXCX-UHFFFAOYSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methoxyethanethiol
CID 162333628
acetic acid;3-methoxypropan-1-ol
CID 71363248
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
acetic acid;ruthenium
CID 175502908
acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
acetic acid;1-chloropropane
CID 162052108
3-methoxypropanoic acid;yttrium
CID 87432975
acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
CID 157259516
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
acetic acid
CID 158444727

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxyethyl hypochlorite?
The IUPAC name of acetic acid;2-methoxyethyl hypochlorite (CID 174503241) is acetic acid;2-methoxyethyl hypochlorite.
What is the SMILES notation for acetic acid;2-methoxyethyl hypochlorite?
The canonical SMILES for acetic acid;2-methoxyethyl hypochlorite is CC(=O)O.COCCOCl.
What is the InChIKey of acetic acid;2-methoxyethyl hypochlorite?
The InChIKey is HVHRINLBODMXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO2.C2H4O2/c1-5-2-3-6-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methoxyethyl hypochlorite?
acetic acid;2-methoxyethyl hypochlorite has a molecular weight of 170.59 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxyethyl hypochlorite is sourced from PubChem (CID 174503241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).