carbonochloridic acid;2-methylpropyl formate

C6H11ClO4 — CID 174976673

IUPACcarbonochloridic acid;2-methylpropyl formate
SMILESCC(C)COC=O.O=C(O)Cl
InChIInChI=1S/C5H10O2.CHClO2/c1-5(2)3-7-4-6;2-1(3)4/h4-5H,3H2,1-2H3;(H,3,4)
InChIKeyLTEVXNXOENMZHN-UHFFFAOYSA-N
MW182.60 g/mol
LogP1.72
Rot. Bonds3

About carbonochloridic acid;2-methylpropyl formate

carbonochloridic acid;2-methylpropyl formate (PubChem CID 174976673) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is carbonochloridic acid;2-methylpropyl formate.

Molecular Properties

Compound Namecarbonochloridic acid;2-methylpropyl formate
PubChem CID174976673
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Namecarbonochloridic acid;2-methylpropyl formate
SMILESCC(C)COC=O.O=C(O)Cl
InChIInChI=1S/C5H10O2.CHClO2/c1-5(2)3-7-4-6;2-1(3)4/h4-5H,3H2,1-2H3;(H,3,4)
InChIKeyLTEVXNXOENMZHN-UHFFFAOYSA-N
XLogP1.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;2-methylpropyl formate?
The IUPAC name of carbonochloridic acid;2-methylpropyl formate (CID 174976673) is carbonochloridic acid;2-methylpropyl formate.
What is the SMILES notation for carbonochloridic acid;2-methylpropyl formate?
The canonical SMILES for carbonochloridic acid;2-methylpropyl formate is CC(C)COC=O.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;2-methylpropyl formate?
The InChIKey is LTEVXNXOENMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CHClO2/c1-5(2)3-7-4-6;2-1(3)4/h4-5H,3H2,1-2H3;(H,3,4).
What are the key properties of carbonochloridic acid;2-methylpropyl formate?
carbonochloridic acid;2-methylpropyl formate has a molecular weight of 182.60 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;2-methylpropyl formate is sourced from PubChem (CID 174976673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).