2-propan-2-yloxyethyl N-tert-butylcarbamate

C10H21NO3 — CID 174652774

IUPAC2-propan-2-yloxyethyl N-tert-butylcarbamate
SMILESCC(C)OCCOC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(2)13-6-7-14-9(12)11-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyUEWLYYXKLQYHKE-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.94
Rot. Bonds4

About 2-propan-2-yloxyethyl N-tert-butylcarbamate

2-propan-2-yloxyethyl N-tert-butylcarbamate (PubChem CID 174652774) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl N-tert-butylcarbamate
PubChem CID174652774
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-propan-2-yloxyethyl N-tert-butylcarbamate
SMILESCC(C)OCCOC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(2)13-6-7-14-9(12)11-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyUEWLYYXKLQYHKE-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.94
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

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-propan-2-yloxyethyl N-aminocarbamate
CID 154208256
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
CID 175303197
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl N-tert-butylcarbamate?
The IUPAC name of 2-propan-2-yloxyethyl N-tert-butylcarbamate (CID 174652774) is 2-propan-2-yloxyethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-propan-2-yloxyethyl N-tert-butylcarbamate?
The canonical SMILES for 2-propan-2-yloxyethyl N-tert-butylcarbamate is CC(C)OCCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl N-tert-butylcarbamate?
The InChIKey is UEWLYYXKLQYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)13-6-7-14-9(12)11-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 2-propan-2-yloxyethyl N-tert-butylcarbamate?
2-propan-2-yloxyethyl N-tert-butylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl N-tert-butylcarbamate is sourced from PubChem (CID 174652774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).