benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate

C19H27NO2Si — CID 101036255

IUPACbenzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate
SMILESC[Si](C)(C)C#C[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H27NO2Si/c1-23(2,3)14-13-17-11-7-8-12-18(17)20-19(21)22-15-16-9-5-4-6-10-16/h4-6,9-10,17-18H,7-8,11-12,15H2,1-3H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyWNYJJGILRCJIQG-QZTJIDSGSA-N
MW329.52 g/mol
LogP4.35
Rot. Bonds3

About benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate

benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate (PubChem CID 101036255) has the molecular formula C19H27NO2Si and a molecular weight of 329.52 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate
PubChem CID101036255
Molecular FormulaC19H27NO2Si
Molecular Weight329.52 g/mol
Exact Mass329.18
IUPAC Namebenzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate
SMILESC[Si](C)(C)C#C[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H27NO2Si/c1-23(2,3)14-13-17-11-7-8-12-18(17)20-19(21)22-15-16-9-5-4-6-10-16/h4-6,9-10,17-18H,7-8,11-12,15H2,1-3H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyWNYJJGILRCJIQG-QZTJIDSGSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate (CID 101036255) is benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate is C[Si](C)(C)C#C[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate?
The InChIKey is WNYJJGILRCJIQG-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27NO2Si/c1-23(2,3)14-13-17-11-7-8-12-18(17)20-19(21)22-15-16-9-5-4-6-10-16/h4-6,9-10,17-18H,7-8,11-12,15H2,1-3H3,(H,20,21)/t17-,18-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate?
benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate has a molecular weight of 329.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate is sourced from PubChem (CID 101036255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).