ethenyl carbonochloridate;methane;dihydrochloride

C4H9Cl3O2 — CID 174491534

IUPACethenyl carbonochloridate;methane;dihydrochloride
SMILESC.C=COC(=O)Cl.Cl.Cl
InChIInChI=1S/C3H3ClO2.CH4.2ClH/c1-2-6-3(4)5;;;/h2H,1H2;1H4;2*1H
InChIKeyWYNYSVAKMBMWIC-UHFFFAOYSA-N
MW195.47 g/mol
LogP2.98
Rot. Bonds1

About ethenyl carbonochloridate;methane;dihydrochloride

ethenyl carbonochloridate;methane;dihydrochloride (PubChem CID 174491534) has the molecular formula C4H9Cl3O2 and a molecular weight of 195.47 g/mol. Its IUPAC name is ethenyl carbonochloridate;methane;dihydrochloride.

Molecular Properties

Compound Nameethenyl carbonochloridate;methane;dihydrochloride
PubChem CID174491534
Molecular FormulaC4H9Cl3O2
Molecular Weight195.47 g/mol
Exact Mass193.97
IUPAC Nameethenyl carbonochloridate;methane;dihydrochloride
SMILESC.C=COC(=O)Cl.Cl.Cl
InChIInChI=1S/C3H3ClO2.CH4.2ClH/c1-2-6-3(4)5;;;/h2H,1H2;1H4;2*1H
InChIKeyWYNYSVAKMBMWIC-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethenyl carbonochloridate;methane;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenyl hydrogen carbonate;methane
CID 175034349
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate
CID 174935950
ethenyl acetate
CID 7904
dichloromethane;ethenyl acetate
CID 86614662
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
ethenyl cyclopropanecarboxylate;hydrochloride
CID 70403102
ethenyl 3-chloropropanoate
CID 13050129
3-chloro-2-ethenoxyprop-2-enoic acid
CID 129245177
ethenyl 2,2-dihydroxyacetate
CID 172859398
ethene;ethenyl acetate;hydrofluoride
CID 158693082
carbonofluoridic acid;ethenyl carbonofluoridate
CID 175081122

Frequently Asked Questions

What is the IUPAC name of ethenyl carbonochloridate;methane;dihydrochloride?
The IUPAC name of ethenyl carbonochloridate;methane;dihydrochloride (CID 174491534) is ethenyl carbonochloridate;methane;dihydrochloride.
What is the SMILES notation for ethenyl carbonochloridate;methane;dihydrochloride?
The canonical SMILES for ethenyl carbonochloridate;methane;dihydrochloride is C.C=COC(=O)Cl.Cl.Cl.
What is the InChIKey of ethenyl carbonochloridate;methane;dihydrochloride?
The InChIKey is WYNYSVAKMBMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClO2.CH4.2ClH/c1-2-6-3(4)5;;;/h2H,1H2;1H4;2*1H.
What are the key properties of ethenyl carbonochloridate;methane;dihydrochloride?
ethenyl carbonochloridate;methane;dihydrochloride has a molecular weight of 195.47 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl carbonochloridate;methane;dihydrochloride is sourced from PubChem (CID 174491534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).