tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate

C19H36N2O3Si — CID 90773951

IUPACtert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C#N)CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H36N2O3Si/c1-17(2,3)24-16(22)21-19(14-20)11-9-15(10-12-19)13-23-25(7,8)18(4,5)6/h15H,9-13H2,1-8H3,(H,21,22)
InChIKeyKYKKHJSTGOPFDY-UHFFFAOYSA-N
MW368.59 g/mol
LogP4.99
Rot. Bonds4

About tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate

tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate (PubChem CID 90773951) has the molecular formula C19H36N2O3Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate
PubChem CID90773951
Molecular FormulaC19H36N2O3Si
Molecular Weight368.59 g/mol
Exact Mass368.25
IUPAC Nametert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C#N)CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H36N2O3Si/c1-17(2,3)24-16(22)21-19(14-20)11-9-15(10-12-19)13-23-25(7,8)18(4,5)6/h15H,9-13H2,1-8H3,(H,21,22)
InChIKeyKYKKHJSTGOPFDY-UHFFFAOYSA-N
XLogP4.99
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 136590338
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile
CID 22236378
tert-butyl N-[1-[(1-cyanocyclopropyl)carbamoyl]cycloheptyl]carbamate
CID 140895251
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
CID 10936954
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
tert-butyl N-[1-[(4-cyanooxan-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 22260478
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
CID 132515167
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate
CID 21362531
tert-butyl N-[(1S,2R)-1-cyano-2-methylcyclohexyl]carbamate
CID 97416660
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
CID 164650703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate (CID 90773951) is tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate is CC(C)(C)OC(=O)NC1(C#N)CCC(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate?
The InChIKey is KYKKHJSTGOPFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3Si/c1-17(2,3)24-16(22)21-19(14-20)11-9-15(10-12-19)13-23-25(7,8)18(4,5)6/h15H,9-13H2,1-8H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate?
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate has a molecular weight of 368.59 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyanocyclohexyl]carbamate is sourced from PubChem (CID 90773951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).