tert-butyl-dimethyl-(10-phenyldecoxy)silane

C22H40OSi — CID 86289045

IUPACtert-butyl-dimethyl-(10-phenyldecoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCc1ccccc1
InChIInChI=1S/C22H40OSi/c1-22(2,3)24(4,5)23-20-16-11-9-7-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,6-11,13,16-17,20H2,1-5H3
InChIKeyLUBXTFLVBKPDRG-UHFFFAOYSA-N
MW348.65 g/mol
LogP7.37
Rot. Bonds12

About tert-butyl-dimethyl-(10-phenyldecoxy)silane

tert-butyl-dimethyl-(10-phenyldecoxy)silane (PubChem CID 86289045) has the molecular formula C22H40OSi and a molecular weight of 348.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-(10-phenyldecoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(10-phenyldecoxy)silane
PubChem CID86289045
Molecular FormulaC22H40OSi
Molecular Weight348.65 g/mol
Exact Mass348.28
IUPAC Nametert-butyl-dimethyl-(10-phenyldecoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCc1ccccc1
InChIInChI=1S/C22H40OSi/c1-22(2,3)24(4,5)23-20-16-11-9-7-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,6-11,13,16-17,20H2,1-5H3
InChIKeyLUBXTFLVBKPDRG-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.65
LogP ≤ 57.37
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-dimethyl-(10-phenyldecoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(10-phenyldecoxy)silane (CID 86289045) is tert-butyl-dimethyl-(10-phenyldecoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(10-phenyldecoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(10-phenyldecoxy)silane is CC(C)(C)[Si](C)(C)OCCCCCCCCCCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(10-phenyldecoxy)silane?
The InChIKey is LUBXTFLVBKPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40OSi/c1-22(2,3)24(4,5)23-20-16-11-9-7-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,6-11,13,16-17,20H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(10-phenyldecoxy)silane?
tert-butyl-dimethyl-(10-phenyldecoxy)silane has a molecular weight of 348.65 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(10-phenyldecoxy)silane is sourced from PubChem (CID 86289045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).