tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane

C29H34O2Si — CID 15539517

IUPACtert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](O[C@H]1CCC=C1COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O2Si/c1-29(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-28-21-13-16-25(28)23-30-22-24-14-7-4-8-15-24/h4-12,14-20,28H,13,21-23H2,1-3H3/t28-/m0/s1
InChIKeyINCLZWFPDSQPSZ-NDEPHWFRSA-N
MW442.68 g/mol
LogP5.87
Rot. Bonds8

About tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane

tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane (PubChem CID 15539517) has the molecular formula C29H34O2Si and a molecular weight of 442.68 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane
PubChem CID15539517
Molecular FormulaC29H34O2Si
Molecular Weight442.68 g/mol
Exact Mass442.23
IUPAC Nametert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](O[C@H]1CCC=C1COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O2Si/c1-29(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-28-21-13-16-25(28)23-30-22-24-14-7-4-8-15-24/h4-12,14-20,28H,13,21-23H2,1-3H3/t28-/m0/s1
InChIKeyINCLZWFPDSQPSZ-NDEPHWFRSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane with MolForge

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

Launch Full Analysis

Related Compounds

[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
CID 10552846
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane
CID 174429442
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile
CID 139910624
benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
CID 45379868
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane (CID 15539517) is tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane is CC(C)(C)[Si](O[C@H]1CCC=C1COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane?
The InChIKey is INCLZWFPDSQPSZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H34O2Si/c1-29(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-28-21-13-16-25(28)23-30-22-24-14-7-4-8-15-24/h4-12,14-20,28H,13,21-23H2,1-3H3/t28-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane?
tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane has a molecular weight of 442.68 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(1S)-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 15539517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).