tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane

C14H26O2Si — CID 155930352

IUPACtert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane
SMILESC=CC/C=C\C=C(\OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-9-10-11-12-13(15-5)16-17(6,7)14(2,3)4/h8,10-12H,1,9H2,2-7H3/b11-10-,13-12-
InChIKeyUKTYYXPUWZZDLL-FQEMRORKSA-N
MW254.45 g/mol
LogP4.63
Rot. Bonds6

About tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane

tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane (PubChem CID 155930352) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane
PubChem CID155930352
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane
SMILESC=CC/C=C\C=C(\OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-9-10-11-12-13(15-5)16-17(6,7)14(2,3)4/h8,10-12H,1,9H2,2-7H3/b11-10-,13-12-
InChIKeyUKTYYXPUWZZDLL-FQEMRORKSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane (CID 155930352) is tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane is C=CC/C=C\C=C(\OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane?
The InChIKey is UKTYYXPUWZZDLL-FQEMRORKSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-9-10-11-12-13(15-5)16-17(6,7)14(2,3)4/h8,10-12H,1,9H2,2-7H3/b11-10-,13-12-.
What are the key properties of tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane?
tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane is sourced from PubChem (CID 155930352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).