(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate

C14H23N3O3Si — CID 163520574

IUPAC(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate
SMILESCc1ccc2c(c1)N(OC(=O)OCC[Si](C)(C)C)N(C)N2
InChIInChI=1S/C14H23N3O3Si/c1-11-6-7-12-13(10-11)17(16(2)15-12)20-14(18)19-8-9-21(3,4)5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyDKLKYKYLCSZMNJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.40
Rot. Bonds4

About (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate

(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate (PubChem CID 163520574) has the molecular formula C14H23N3O3Si and a molecular weight of 309.44 g/mol. Its IUPAC name is (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate.

Molecular Properties

Compound Name(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate
PubChem CID163520574
Molecular FormulaC14H23N3O3Si
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate
SMILESCc1ccc2c(c1)N(OC(=O)OCC[Si](C)(C)C)N(C)N2
InChIInChI=1S/C14H23N3O3Si/c1-11-6-7-12-13(10-11)17(16(2)15-12)20-14(18)19-8-9-21(3,4)5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyDKLKYKYLCSZMNJ-UHFFFAOYSA-N
XLogP3.40
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] carbonate
CID 23517643
(4-methylphenyl)-oxido-(2-trimethylsilylethoxycarbonylamino)sulfanium
CID 171661696
4-methylbenzenesulfonate;2-trimethylsilylethyl N-(azetidin-3-yl)carbamate
CID 21090421
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
(6-methylnaphthalen-2-yl) propyl carbonate
CID 58232642
octyl 2-trimethylsilylethyl carbonate
CID 172701355
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
(6-methylnaphthalen-2-yl) propyl carbonate;propane
CID 123704980
4-(3-bromophenyl)-3-(2-trimethylsilylethoxycarbonyloxy)piperidine-1-carboxylic acid
CID 22128895

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
The IUPAC name of (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate (CID 163520574) is (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate.
What is the SMILES notation for (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
The canonical SMILES for (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate is Cc1ccc2c(c1)N(OC(=O)OCC[Si](C)(C)C)N(C)N2.
What is the InChIKey of (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
The InChIKey is DKLKYKYLCSZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3Si/c1-11-6-7-12-13(10-11)17(16(2)15-12)20-14(18)19-8-9-21(3,4)5/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate has a molecular weight of 309.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate is sourced from PubChem (CID 163520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).