tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane

C13H26OSi — CID 10933202

IUPACtert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane
SMILESC=CCC(CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-10-12(11-9-2)14-15(6,7)13(3,4)5/h8-9,12H,1-2,10-11H2,3-7H3
InChIKeyMHOVRSGQQGEURJ-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.53
Rot. Bonds6

About tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane

tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane (PubChem CID 10933202) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane
PubChem CID10933202
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane
SMILESC=CCC(CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-10-12(11-9-2)14-15(6,7)13(3,4)5/h8-9,12H,1-2,10-11H2,3-7H3
InChIKeyMHOVRSGQQGEURJ-UHFFFAOYSA-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': '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-hepta-1,6-dien-4-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane (CID 10933202) is tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane is C=CCC(CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane?
The InChIKey is MHOVRSGQQGEURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-10-12(11-9-2)14-15(6,7)13(3,4)5/h8-9,12H,1-2,10-11H2,3-7H3.
What are the key properties of tert-butyl-hepta-1,6-dien-4-yloxy-dimethylsilane?
tert-butyl-hepta-1,6-dien-4-yloxy-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-hepta-1,6-dien-4-yloxy-dimethylsilane is sourced from PubChem (CID 10933202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).