tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane

C13H26OSi — CID 14214598

IUPACtert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane
SMILESC=CC/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h7,9-10H,1,8,11-12H2,2-6H3/b10-9+
InChIKeyDZIVVDJDLNSRHY-MDZDMXLPSA-N
MW226.44 g/mol
LogP4.53
Rot. Bonds6

About tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane

tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane (PubChem CID 14214598) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane
PubChem CID14214598
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane
SMILESC=CC/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h7,9-10H,1,8,11-12H2,2-6H3/b10-9+
InChIKeyDZIVVDJDLNSRHY-MDZDMXLPSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.53
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane (CID 14214598) is tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane is C=CC/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane?
The InChIKey is DZIVVDJDLNSRHY-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h7,9-10H,1,8,11-12H2,2-6H3/b10-9+.
What are the key properties of tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane?
tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E)-hepta-3,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 14214598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).