tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane

C12H22OSi — CID 11042035

IUPACtert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCCC=C1
InChIInChI=1S/C12H22OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9-10H,6,8H2,1-5H3
InChIKeyVKQQMEGKTNYGIK-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane

tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane (PubChem CID 11042035) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane
PubChem CID11042035
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Nametert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCCC=C1
InChIInChI=1S/C12H22OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9-10H,6,8H2,1-5H3
InChIKeyVKQQMEGKTNYGIK-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane (CID 11042035) is tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CCCC=C1.
What is the InChIKey of tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane?
The InChIKey is VKQQMEGKTNYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9-10H,6,8H2,1-5H3.
What are the key properties of tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane?
tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane is sourced from PubChem (CID 11042035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).