tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane

C21H36OSi — CID 134866917

IUPACtert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane
SMILESC=C/C=C/CC/C=C/C=C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(5,6)21(2,3)4/h7-9,12-17H,1,10-11,18-20H2,2-6H3/b9-8+,13-12+,15-14+,17-16+
InChIKeyDRBWJTBAZNIYIN-QTMCTTMVSA-N
MW332.60 g/mol
LogP6.98
Rot. Bonds11

About tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane

tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane (PubChem CID 134866917) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane
PubChem CID134866917
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Nametert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane
SMILESC=C/C=C/CC/C=C/C=C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(5,6)21(2,3)4/h7-9,12-17H,1,10-11,18-20H2,2-6H3/b9-8+,13-12+,15-14+,17-16+
InChIKeyDRBWJTBAZNIYIN-QTMCTTMVSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 56.98
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

4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
Cyclopentadienyldimethylethoxysilane
CID 517116
tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane
CID 174090226
1,3-bis[(4E)-Hex-4-en-1-yloxy]-1,1,3,3-tetramethyldisiloxane
CID 91697780
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane
CID 11145388
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(4Z,6E)-7,11-dimethyldodeca-4,6,10-trienoxy]-tri(propan-2-yl)silane
CID 11279999
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane (CID 134866917) is tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane is C=C/C=C/CC/C=C/C=C/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane?
The InChIKey is DRBWJTBAZNIYIN-QTMCTTMVSA-N. The full InChI is InChI=1S/C21H36OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(5,6)21(2,3)4/h7-9,12-17H,1,10-11,18-20H2,2-6H3/b9-8+,13-12+,15-14+,17-16+.
What are the key properties of tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane?
tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane has a molecular weight of 332.60 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane is sourced from PubChem (CID 134866917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).