tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane

C19H40O2Si2 — CID 154719316

IUPACtert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane
SMILESC/C=C(/C=C/CCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H40O2Si2/c1-10-18(21-23(11-2,12-3)13-4)16-14-15-17-20-22(8,9)19(5,6)7/h10,14,16H,11-13,15,17H2,1-9H3/b16-14+,18-10-
InChIKeyDZLVMTWOUGXBPY-NHAFHBFHSA-N
MW356.70 g/mol
LogP6.88
Rot. Bonds10

About tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane

tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane (PubChem CID 154719316) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane
PubChem CID154719316
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane
SMILESC/C=C(/C=C/CCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H40O2Si2/c1-10-18(21-23(11-2,12-3)13-4)16-14-15-17-20-22(8,9)19(5,6)7/h10,14,16H,11-13,15,17H2,1-9H3/b16-14+,18-10-
InChIKeyDZLVMTWOUGXBPY-NHAFHBFHSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane (CID 154719316) is tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane is C/C=C(/C=C/CCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane?
The InChIKey is DZLVMTWOUGXBPY-NHAFHBFHSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-10-18(21-23(11-2,12-3)13-4)16-14-15-17-20-22(8,9)19(5,6)7/h10,14,16H,11-13,15,17H2,1-9H3/b16-14+,18-10-.
What are the key properties of tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane?
tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane has a molecular weight of 356.70 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane is sourced from PubChem (CID 154719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).