carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one

C6H7ClO6 — CID 86628353

IUPACcarbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CO.O=C(O)Cl
InChIInChI=1S/C5H6O4.CHClO2/c1-3-4(2-6)9-5(7)8-3;2-1(3)4/h6H,2H2,1H3;(H,3,4)
InChIKeyZLNPLIOMNTYWDK-UHFFFAOYSA-N
MW210.57 g/mol
LogP0.94
Rot. Bonds1

About carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one

carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 86628353) has the molecular formula C6H7ClO6 and a molecular weight of 210.57 g/mol. Its IUPAC name is carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Namecarbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID86628353
Molecular FormulaC6H7ClO6
Molecular Weight210.57 g/mol
Exact Mass209.99
IUPAC Namecarbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CO.O=C(O)Cl
InChIInChI=1S/C5H6O4.CHClO2/c1-3-4(2-6)9-5(7)8-3;2-1(3)4/h6H,2H2,1H3;(H,3,4)
InChIKeyZLNPLIOMNTYWDK-UHFFFAOYSA-N
XLogP0.94
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.57
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one (CID 86628353) is carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one is Cc1oc(=O)oc1CO.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is ZLNPLIOMNTYWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.CHClO2/c1-3-4(2-6)9-5(7)8-3;2-1(3)4/h6H,2H2,1H3;(H,3,4).
What are the key properties of carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 210.57 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 86628353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).