tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane

C21H36OSi — CID 11989532

IUPACtert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane
SMILESCCCCCC/C=C/c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H36OSi/c1-7-8-9-10-11-12-14-19-15-13-16-20(17-19)18-22-23(5,6)21(2,3)4/h12-17H,7-11,18H2,1-6H3/b14-12+
InChIKeyUNPLFZKNCOXNTO-WYMLVPIESA-N
MW332.60 g/mol
LogP7.19
Rot. Bonds9

About tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane (PubChem CID 11989532) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane
PubChem CID11989532
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Nametert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane
SMILESCCCCCC/C=C/c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H36OSi/c1-7-8-9-10-11-12-14-19-15-13-16-20(17-19)18-22-23(5,6)21(2,3)4/h12-17H,7-11,18H2,1-6H3/b14-12+
InChIKeyUNPLFZKNCOXNTO-WYMLVPIESA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 57.19
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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Related Compounds

Benzyloxytrimethylsilane
CID 518982
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
Silane, trimethyl(2-phenylethoxy)-
CID 518978
Silane, (2-chloroethyl)methylbis(phenylmethoxy)-
CID 94518
{2-[Dimethyl(2-methylphenyl)silyl]phenyl}methanol
CID 11989422
Silane, triethyl(phenylmethoxy)-
CID 563229
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1,2-Ethanediol, phenyl, bis-TMS
CID 530367

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane (CID 11989532) is tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane is CCCCCC/C=C/c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane?
The InChIKey is UNPLFZKNCOXNTO-WYMLVPIESA-N. The full InChI is InChI=1S/C21H36OSi/c1-7-8-9-10-11-12-14-19-15-13-16-20(17-19)18-22-23(5,6)21(2,3)4/h12-17H,7-11,18H2,1-6H3/b14-12+.
What are the key properties of tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane?
tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane has a molecular weight of 332.60 g/mol, XLogP of 7.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane is sourced from PubChem (CID 11989532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).