tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane

C22H30Cl2OSi — CID 134901194

IUPACtert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H30Cl2OSi/c1-22(2,3)26(4,5)25-15-9-12-19(17-10-7-6-8-11-17)18-13-14-20(23)21(24)16-18/h6-8,10-11,13-14,16,19H,9,12,15H2,1-5H3/t19-/m1/s1
InChIKeyNTRCMSGDUWEMSI-LJQANCHMSA-N
MW409.47 g/mol
LogP7.93
Rot. Bonds7

About tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane

tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane (PubChem CID 134901194) has the molecular formula C22H30Cl2OSi and a molecular weight of 409.47 g/mol. Its IUPAC name is tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane
PubChem CID134901194
Molecular FormulaC22H30Cl2OSi
Molecular Weight409.47 g/mol
Exact Mass408.14
IUPAC Nametert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H30Cl2OSi/c1-22(2,3)26(4,5)25-15-9-12-19(17-10-7-6-8-11-17)18-13-14-20(23)21(24)16-18/h6-8,10-11,13-14,16,19H,9,12,15H2,1-5H3/t19-/m1/s1
InChIKeyNTRCMSGDUWEMSI-LJQANCHMSA-N
XLogP7.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane (CID 134901194) is tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane?
The InChIKey is NTRCMSGDUWEMSI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30Cl2OSi/c1-22(2,3)26(4,5)25-15-9-12-19(17-10-7-6-8-11-17)18-13-14-20(23)21(24)16-18/h6-8,10-11,13-14,16,19H,9,12,15H2,1-5H3/t19-/m1/s1.
What are the key properties of tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane?
tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane has a molecular weight of 409.47 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane is sourced from PubChem (CID 134901194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).