bis(carbonochloridic acid);ethane

C4H8Cl2O4 — CID 175169391

IUPACbis(carbonochloridic acid);ethane
SMILESCC.O=C(O)Cl.O=C(O)Cl
InChIInChI=1S/C2H6.2CHClO2/c1-2;2*2-1(3)4/h1-2H3;2*(H,3,4)
InChIKeyVTNLGTSBDBXVTP-UHFFFAOYSA-N
MW191.01 g/mol
LogP2.83
Rot. Bonds

About bis(carbonochloridic acid);ethane

bis(carbonochloridic acid);ethane (PubChem CID 175169391) has the molecular formula C4H8Cl2O4 and a molecular weight of 191.01 g/mol. Its IUPAC name is bis(carbonochloridic acid);ethane.

Molecular Properties

Compound Namebis(carbonochloridic acid);ethane
PubChem CID175169391
Molecular FormulaC4H8Cl2O4
Molecular Weight191.01 g/mol
Exact Mass189.98
IUPAC Namebis(carbonochloridic acid);ethane
SMILESCC.O=C(O)Cl.O=C(O)Cl
InChIInChI=1S/C2H6.2CHClO2/c1-2;2*2-1(3)4/h1-2H3;2*(H,3,4)
InChIKeyVTNLGTSBDBXVTP-UHFFFAOYSA-N
XLogP2.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.01
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(carbonochloridic acid);ethane?
The IUPAC name of bis(carbonochloridic acid);ethane (CID 175169391) is bis(carbonochloridic acid);ethane.
What is the SMILES notation for bis(carbonochloridic acid);ethane?
The canonical SMILES for bis(carbonochloridic acid);ethane is CC.O=C(O)Cl.O=C(O)Cl.
What is the InChIKey of bis(carbonochloridic acid);ethane?
The InChIKey is VTNLGTSBDBXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.2CHClO2/c1-2;2*2-1(3)4/h1-2H3;2*(H,3,4).
What are the key properties of bis(carbonochloridic acid);ethane?
bis(carbonochloridic acid);ethane has a molecular weight of 191.01 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbonochloridic acid);ethane is sourced from PubChem (CID 175169391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).