2-ethoxy-1-isocyanato-2-methylpropane

C7H13NO2 — CID 114944269

IUPAC2-ethoxy-1-isocyanato-2-methylpropane
SMILESCCOC(C)(C)CN=C=O
InChIInChI=1S/C7H13NO2/c1-4-10-7(2,3)5-8-6-9/h4-5H2,1-3H3
InChIKeyCTJIEROWFIHEJW-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.14
Rot. Bonds4

About 2-ethoxy-1-isocyanato-2-methylpropane

2-ethoxy-1-isocyanato-2-methylpropane (PubChem CID 114944269) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-ethoxy-1-isocyanato-2-methylpropane.

Molecular Properties

Compound Name2-ethoxy-1-isocyanato-2-methylpropane
PubChem CID114944269
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-ethoxy-1-isocyanato-2-methylpropane
SMILESCCOC(C)(C)CN=C=O
InChIInChI=1S/C7H13NO2/c1-4-10-7(2,3)5-8-6-9/h4-5H2,1-3H3
InChIKeyCTJIEROWFIHEJW-UHFFFAOYSA-N
XLogP1.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-isocyanato-2-methylpropane?
The IUPAC name of 2-ethoxy-1-isocyanato-2-methylpropane (CID 114944269) is 2-ethoxy-1-isocyanato-2-methylpropane.
What is the SMILES notation for 2-ethoxy-1-isocyanato-2-methylpropane?
The canonical SMILES for 2-ethoxy-1-isocyanato-2-methylpropane is CCOC(C)(C)CN=C=O.
What is the InChIKey of 2-ethoxy-1-isocyanato-2-methylpropane?
The InChIKey is CTJIEROWFIHEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-10-7(2,3)5-8-6-9/h4-5H2,1-3H3.
What are the key properties of 2-ethoxy-1-isocyanato-2-methylpropane?
2-ethoxy-1-isocyanato-2-methylpropane has a molecular weight of 143.19 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-isocyanato-2-methylpropane is sourced from PubChem (CID 114944269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).