tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane

C21H40OSi — CID 10337114

IUPACtert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-22-23(8,9)21(5,6)7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+
InChIKeyLULLVSRMXIXPNO-XHGFWWIISA-N
MW336.64 g/mol
LogP7.43
Rot. Bonds9

About tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane

tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane (PubChem CID 10337114) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane
PubChem CID10337114
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-22-23(8,9)21(5,6)7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+
InChIKeyLULLVSRMXIXPNO-XHGFWWIISA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane (CID 10337114) is tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
The InChIKey is LULLVSRMXIXPNO-XHGFWWIISA-N. The full InChI is InChI=1S/C21H40OSi/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-22-23(8,9)21(5,6)7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+.
What are the key properties of tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane has a molecular weight of 336.64 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane is sourced from PubChem (CID 10337114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).