tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate

C11H23NO4 — CID 86645524

IUPACtert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(COCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9(14)12-11(4,5)8-15-7-6-13/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeyBJIKKASOQJPJKD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds5

About tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate (PubChem CID 86645524) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate
PubChem CID86645524
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(COCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9(14)12-11(4,5)8-15-7-6-13/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeyBJIKKASOQJPJKD-UHFFFAOYSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate (CID 86645524) is tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate is CC(C)(COCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate?
The InChIKey is BJIKKASOQJPJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(2,3)16-9(14)12-11(4,5)8-15-7-6-13/h13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 86645524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).