2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate

C11H23NO4 — CID 91086602

IUPAC2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate
SMILESCOCCCOCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-11(2,3)12-10(13)16-9-8-15-7-5-6-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyIJWPWSOZHKNMOM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.56
Rot. Bonds7

About 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate

2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate (PubChem CID 91086602) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate
PubChem CID91086602
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate
SMILESCOCCCOCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-11(2,3)12-10(13)16-9-8-15-7-5-6-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyIJWPWSOZHKNMOM-UHFFFAOYSA-N
XLogP1.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propyl tert-butylcarbamate
CID 246800
2-Methylpropyl tert-butylcarbamate
CID 246802
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
Butyl tert-butylcarbamate
CID 246801
oxolan-3-yl N-tert-butylcarbamate
CID 20765341
2-methoxyethyl N-tert-butylcarbamate
CID 59083138
[(3S)-oxolan-3-yl] N-tert-butylcarbamate
CID 59990336
Tert-butyl [2-(2-methoxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645526
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
CID 87194647
3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate
CID 87416553
3-trimethylstannylpropyl N-tert-butylcarbamate
CID 88709237
3-(2,2-dimethylpropoxy)propyl N-tert-butylcarbamate
CID 89878612

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate (CID 91086602) is 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate is COCCCOCCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate?
The InChIKey is IJWPWSOZHKNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-11(2,3)12-10(13)16-9-8-15-7-5-6-14-4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate?
2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate has a molecular weight of 233.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 91086602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).