tert-butyl-hept-6-enoxy-diphenylsilane

C23H32OSi — CID 10784231

IUPACtert-butyl-hept-6-enoxy-diphenylsilane
SMILESC=CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32OSi/c1-5-6-7-8-15-20-24-25(23(2,3)4,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h5,9-14,16-19H,1,6-8,15,20H2,2-4H3
InChIKeyFRAQYWKNIPBGBG-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.31
Rot. Bonds9

About tert-butyl-hept-6-enoxy-diphenylsilane

tert-butyl-hept-6-enoxy-diphenylsilane (PubChem CID 10784231) has the molecular formula C23H32OSi and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-hept-6-enoxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-hept-6-enoxy-diphenylsilane
PubChem CID10784231
Molecular FormulaC23H32OSi
Molecular Weight352.59 g/mol
Exact Mass352.22
IUPAC Nametert-butyl-hept-6-enoxy-diphenylsilane
SMILESC=CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32OSi/c1-5-6-7-8-15-20-24-25(23(2,3)4,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h5,9-14,16-19H,1,6-8,15,20H2,2-4H3
InChIKeyFRAQYWKNIPBGBG-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.31
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-hept-6-enoxy-diphenylsilane?
The IUPAC name of tert-butyl-hept-6-enoxy-diphenylsilane (CID 10784231) is tert-butyl-hept-6-enoxy-diphenylsilane.
What is the SMILES notation for tert-butyl-hept-6-enoxy-diphenylsilane?
The canonical SMILES for tert-butyl-hept-6-enoxy-diphenylsilane is C=CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-hept-6-enoxy-diphenylsilane?
The InChIKey is FRAQYWKNIPBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSi/c1-5-6-7-8-15-20-24-25(23(2,3)4,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h5,9-14,16-19H,1,6-8,15,20H2,2-4H3.
What are the key properties of tert-butyl-hept-6-enoxy-diphenylsilane?
tert-butyl-hept-6-enoxy-diphenylsilane has a molecular weight of 352.59 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hept-6-enoxy-diphenylsilane is sourced from PubChem (CID 10784231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).