tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate

C20H41NO3Si — CID 22106829

IUPACtert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H41NO3Si/c1-19(2,3)24-18(22)21-14-13-16-9-11-17(12-10-16)15-23-25(7,8)20(4,5)6/h16-17H,9-15H2,1-8H3,(H,21,22)
InChIKeySNGVHZOSNFFWEV-UHFFFAOYSA-N
MW371.64 g/mol
LogP5.73
Rot. Bonds6

About tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate

tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate (PubChem CID 22106829) has the molecular formula C20H41NO3Si and a molecular weight of 371.64 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate
PubChem CID22106829
Molecular FormulaC20H41NO3Si
Molecular Weight371.64 g/mol
Exact Mass371.29
IUPAC Nametert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H41NO3Si/c1-19(2,3)24-18(22)21-14-13-16-9-11-17(12-10-16)15-23-25(7,8)20(4,5)6/h16-17H,9-15H2,1-8H3,(H,21,22)
InChIKeySNGVHZOSNFFWEV-UHFFFAOYSA-N
XLogP5.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.64
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate (CID 22106829) is tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CCC(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate?
The InChIKey is SNGVHZOSNFFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3Si/c1-19(2,3)24-18(22)21-14-13-16-9-11-17(12-10-16)15-23-25(7,8)20(4,5)6/h16-17H,9-15H2,1-8H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate?
tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate has a molecular weight of 371.64 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethyl]carbamate is sourced from PubChem (CID 22106829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).