2-methoxyethyl N-tert-butylcarbamate

C8H17NO3 — CID 59083138

IUPAC2-methoxyethyl N-tert-butylcarbamate
SMILESCOCCOC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)9-7(10)12-6-5-11-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyMMEYVZYHKLEPSL-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds3

About 2-methoxyethyl N-tert-butylcarbamate

2-methoxyethyl N-tert-butylcarbamate (PubChem CID 59083138) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methoxyethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-methoxyethyl N-tert-butylcarbamate
PubChem CID59083138
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-methoxyethyl N-tert-butylcarbamate
SMILESCOCCOC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)9-7(10)12-6-5-11-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyMMEYVZYHKLEPSL-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl N-tert-butylcarbamate
CID 4189386
tert-Butyl tert-butylcarbamate
CID 13905245
2-fluoroethyl N-tert-butylcarbamate
CID 20765235
2-fluoroethyl N-(2-methylbutan-2-yl)carbamate
CID 118219614
propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate
CID 138552400
[(2S)-1-(difluoromethoxy)propan-2-yl] N-tert-butylcarbamate
CID 157856930
3-fluoropropyl N-tert-butylcarbamate
CID 174967171
[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate
CID 175432714
[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate
CID 175571914
Propyl tert-butylcarbamate
CID 246800
2-Methylpropyl tert-butylcarbamate
CID 246802
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-tert-butylcarbamate?
The IUPAC name of 2-methoxyethyl N-tert-butylcarbamate (CID 59083138) is 2-methoxyethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-methoxyethyl N-tert-butylcarbamate?
The canonical SMILES for 2-methoxyethyl N-tert-butylcarbamate is COCCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-methoxyethyl N-tert-butylcarbamate?
The InChIKey is MMEYVZYHKLEPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)9-7(10)12-6-5-11-4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of 2-methoxyethyl N-tert-butylcarbamate?
2-methoxyethyl N-tert-butylcarbamate has a molecular weight of 175.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-tert-butylcarbamate is sourced from PubChem (CID 59083138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).