1-(2-methylprop-2-enoxy)ethyl carbonochloridate

C7H11ClO3 — CID 88640384

IUPAC1-(2-methylprop-2-enoxy)ethyl carbonochloridate
SMILESC=C(C)COC(C)OC(=O)Cl
InChIInChI=1S/C7H11ClO3/c1-5(2)4-10-6(3)11-7(8)9/h6H,1,4H2,2-3H3
InChIKeyUIVRCUKDOKHZFK-UHFFFAOYSA-N
MW178.61 g/mol
LogP2.30
Rot. Bonds4

About 1-(2-methylprop-2-enoxy)ethyl carbonochloridate

1-(2-methylprop-2-enoxy)ethyl carbonochloridate (PubChem CID 88640384) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)ethyl carbonochloridate.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)ethyl carbonochloridate
PubChem CID88640384
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Name1-(2-methylprop-2-enoxy)ethyl carbonochloridate
SMILESC=C(C)COC(C)OC(=O)Cl
InChIInChI=1S/C7H11ClO3/c1-5(2)4-10-6(3)11-7(8)9/h6H,1,4H2,2-3H3
InChIKeyUIVRCUKDOKHZFK-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)ethyl carbonochloridate?
The IUPAC name of 1-(2-methylprop-2-enoxy)ethyl carbonochloridate (CID 88640384) is 1-(2-methylprop-2-enoxy)ethyl carbonochloridate.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)ethyl carbonochloridate?
The canonical SMILES for 1-(2-methylprop-2-enoxy)ethyl carbonochloridate is C=C(C)COC(C)OC(=O)Cl.
What is the InChIKey of 1-(2-methylprop-2-enoxy)ethyl carbonochloridate?
The InChIKey is UIVRCUKDOKHZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO3/c1-5(2)4-10-6(3)11-7(8)9/h6H,1,4H2,2-3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)ethyl carbonochloridate?
1-(2-methylprop-2-enoxy)ethyl carbonochloridate has a molecular weight of 178.61 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)ethyl carbonochloridate is sourced from PubChem (CID 88640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).