tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane

C26H34OSi — CID 10715456

IUPACtert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane
SMILESC=C/C(C)=C/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34OSi/c1-6-23(2)17-11-7-8-16-22-27-28(26(3,4)5,24-18-12-9-13-19-24)25-20-14-10-15-21-25/h6-7,9-15,17-21H,1,8,16,22H2,2-5H3/b11-7+,23-17+
InChIKeySMWWINGDTVPNAX-DHMUVAAVSA-N
MW390.64 g/mol
LogP6.03
Rot. Bonds9

About tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane

tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane (PubChem CID 10715456) has the molecular formula C26H34OSi and a molecular weight of 390.64 g/mol. Its IUPAC name is tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane
PubChem CID10715456
Molecular FormulaC26H34OSi
Molecular Weight390.64 g/mol
Exact Mass390.24
IUPAC Nametert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane
SMILESC=C/C(C)=C/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34OSi/c1-6-23(2)17-11-7-8-16-22-27-28(26(3,4)5,24-18-12-9-13-19-24)25-20-14-10-15-21-25/h6-7,9-15,17-21H,1,8,16,22H2,2-5H3/b11-7+,23-17+
InChIKeySMWWINGDTVPNAX-DHMUVAAVSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 56.03
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Diphenyldimethoxysilane
CID 81284
1,3-Diphenyltetramethyldisiloxane
CID 5945
Ethoxydimethylphenylsilane
CID 15770
Diphenyldiethoxysilane
CID 75705
Benzene, (diethoxymethylsilyl)-
CID 69891
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Ethoxymethyldiphenylsilane
CID 74576
Methoxytriphenylsilane
CID 74588
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
tert-Butoxy(chloro)diphenylsilane
CID 2735650
(2-Bromoethoxy)(tert-butyl)diphenylsilane
CID 10915442

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane (CID 10715456) is tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane is C=C/C(C)=C/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane?
The InChIKey is SMWWINGDTVPNAX-DHMUVAAVSA-N. The full InChI is InChI=1S/C26H34OSi/c1-6-23(2)17-11-7-8-16-22-27-28(26(3,4)5,24-18-12-9-13-19-24)25-20-14-10-15-21-25/h6-7,9-15,17-21H,1,8,16,22H2,2-5H3/b11-7+,23-17+.
What are the key properties of tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane?
tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane has a molecular weight of 390.64 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane is sourced from PubChem (CID 10715456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).