tert-butyl 2-imidazol-1-ylethyl carbonate

C10H16N2O3 — CID 58743666

IUPACtert-butyl 2-imidazol-1-ylethyl carbonate
SMILESCC(C)(C)OC(=O)OCCn1ccnc1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)14-7-6-12-5-4-11-8-12/h4-5,8H,6-7H2,1-3H3
InChIKeyMSGNAMOHLIFQGP-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl 2-imidazol-1-ylethyl carbonate

tert-butyl 2-imidazol-1-ylethyl carbonate (PubChem CID 58743666) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is tert-butyl 2-imidazol-1-ylethyl carbonate.

Molecular Properties

Compound Nametert-butyl 2-imidazol-1-ylethyl carbonate
PubChem CID58743666
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nametert-butyl 2-imidazol-1-ylethyl carbonate
SMILESCC(C)(C)OC(=O)OCCn1ccnc1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)14-7-6-12-5-4-11-8-12/h4-5,8H,6-7H2,1-3H3
InChIKeyMSGNAMOHLIFQGP-UHFFFAOYSA-N
XLogP1.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-ylethyl 2-tert-butyl-4,4-dimethylpentanoate
CID 123182139
4-imidazol-1-ylbutyl 2,2-dimethylpropanoate
CID 121289390
tert-butyl 2-amino-3-imidazol-1-yl-2-methylpropanoate
CID 165490503
tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
CID 156839844
1-(2-methoxyethyl)imidazole
CID 14366840
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
2-imidazol-1-ylethyl hexadecanoate;oxalic acid
CID 86116323
tert-butyl 4-(3-imidazol-1-ylpropoxy)-4-methylpiperidine-1-carboxylate
CID 103916001
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625
tert-butyl N-[4-(2-imidazol-1-ylethylcarbamoylamino)phenyl]carbamate
CID 56827057
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-imidazol-1-ylethyl carbonate?
The IUPAC name of tert-butyl 2-imidazol-1-ylethyl carbonate (CID 58743666) is tert-butyl 2-imidazol-1-ylethyl carbonate.
What is the SMILES notation for tert-butyl 2-imidazol-1-ylethyl carbonate?
The canonical SMILES for tert-butyl 2-imidazol-1-ylethyl carbonate is CC(C)(C)OC(=O)OCCn1ccnc1.
What is the InChIKey of tert-butyl 2-imidazol-1-ylethyl carbonate?
The InChIKey is MSGNAMOHLIFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)14-7-6-12-5-4-11-8-12/h4-5,8H,6-7H2,1-3H3.
What are the key properties of tert-butyl 2-imidazol-1-ylethyl carbonate?
tert-butyl 2-imidazol-1-ylethyl carbonate has a molecular weight of 212.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-imidazol-1-ylethyl carbonate is sourced from PubChem (CID 58743666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).