tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane

C22H36O3Si — CID 101421937

IUPACtert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)CCOC1CCCCO1
InChIInChI=1S/C22H36O3Si/c1-22(2,3)26(4,5)25-20(15-14-19-11-7-6-8-12-19)16-18-24-21-13-9-10-17-23-21/h6-8,11-12,14-15,20-21H,9-10,13,16-18H2,1-5H3/b15-14+/t20-,21?/m0/s1
InChIKeyWAYICGNUGRYAEH-LNDPSUFISA-N
MW376.61 g/mol
LogP6.02
Rot. Bonds8

About tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane (PubChem CID 101421937) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
PubChem CID101421937
Molecular FormulaC22H36O3Si
Molecular Weight376.61 g/mol
Exact Mass376.24
IUPAC Nametert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)CCOC1CCCCO1
InChIInChI=1S/C22H36O3Si/c1-22(2,3)26(4,5)25-20(15-14-19-11-7-6-8-12-19)16-18-24-21-13-9-10-17-23-21/h6-8,11-12,14-15,20-21H,9-10,13,16-18H2,1-5H3/b15-14+/t20-,21?/m0/s1
InChIKeyWAYICGNUGRYAEH-LNDPSUFISA-N
XLogP6.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-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

(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
CID 10602504
(E,3R,4S)-8-(oxan-2-yloxy)-1-phenyl-3-phenylsulfanyloct-1-en-4-ol
CID 70408442
(3R,4S)-3-(benzenesulfinyl)-8-(oxan-2-yloxy)-1-phenyloct-1-en-4-ol
CID 56996319
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
CID 11593933
tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane
CID 135026628
2-(3-phenylhex-5-ynoxy)oxane
CID 10658882
2-(2-phenoxyethoxy)oxane
CID 11736193
(5S,6R,7E,9E)-6-benzylsulfanyl-1-(oxan-2-yloxy)-10-phenyldeca-7,9-dien-5-ol
CID 88643236
tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane
CID 139619866
2-(3-methylpentoxy)oxane
CID 14309360

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane (CID 101421937) is tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)CCOC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane?
The InChIKey is WAYICGNUGRYAEH-LNDPSUFISA-N. The full InChI is InChI=1S/C22H36O3Si/c1-22(2,3)26(4,5)25-20(15-14-19-11-7-6-8-12-19)16-18-24-21-13-9-10-17-23-21/h6-8,11-12,14-15,20-21H,9-10,13,16-18H2,1-5H3/b15-14+/t20-,21?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane has a molecular weight of 376.61 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane is sourced from PubChem (CID 101421937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).