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

C11H23NO4 — CID 90732491

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

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

[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate (PubChem CID 90732491) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate
PubChem CID90732491
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C)(C)COCCO
InChIInChI=1S/C11H23NO4/c1-10(2,3)12-9(14)16-11(4,5)8-15-7-6-13/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeySJXCONRHGSTIMH-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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Related Compounds

(S)-(-)-tert-butyl 1-hydroxypropan-2-yl carbamate
CID 118237081
[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate
CID 66733334
2-hydroxyethyl N-tert-butylcarbamate
CID 79345635
Tert-butyl [2-(2-hydroxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645524
Tert-butyl [2-(2-methoxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645526
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
CID 87194647
tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
CID 88902282
2-hydroxypropyl N-tert-butylcarbamate
CID 90220528
[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 90422977
2-(1,3-dimethoxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 90750625
[(2R)-2,3-dihydroxypropyl] N-tert-butylcarbamate
CID 90801381
2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate
CID 90811651

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate (CID 90732491) is [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(C)(C)COCCO.
What is the InChIKey of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate?
The InChIKey is SJXCONRHGSTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(2,3)12-9(14)16-11(4,5)8-15-7-6-13/h13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate?
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate 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 [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 90732491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).