tert-butyl-hex-5-en-3-ynoxy-dimethylsilane

C12H22OSi — CID 11499461

IUPACtert-butyl-hex-5-en-3-ynoxy-dimethylsilane
SMILESC=CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h7H,1,10-11H2,2-6H3
InChIKeyHGTNAGFKMMHUOA-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.59
Rot. Bonds3

About tert-butyl-hex-5-en-3-ynoxy-dimethylsilane

tert-butyl-hex-5-en-3-ynoxy-dimethylsilane (PubChem CID 11499461) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is tert-butyl-hex-5-en-3-ynoxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hex-5-en-3-ynoxy-dimethylsilane
PubChem CID11499461
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Nametert-butyl-hex-5-en-3-ynoxy-dimethylsilane
SMILESC=CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h7H,1,10-11H2,2-6H3
InChIKeyHGTNAGFKMMHUOA-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.59
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-hex-5-en-3-ynoxy-dimethylsilane?
The IUPAC name of tert-butyl-hex-5-en-3-ynoxy-dimethylsilane (CID 11499461) is tert-butyl-hex-5-en-3-ynoxy-dimethylsilane.
What is the SMILES notation for tert-butyl-hex-5-en-3-ynoxy-dimethylsilane?
The canonical SMILES for tert-butyl-hex-5-en-3-ynoxy-dimethylsilane is C=CC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hex-5-en-3-ynoxy-dimethylsilane?
The InChIKey is HGTNAGFKMMHUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h7H,1,10-11H2,2-6H3.
What are the key properties of tert-butyl-hex-5-en-3-ynoxy-dimethylsilane?
tert-butyl-hex-5-en-3-ynoxy-dimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hex-5-en-3-ynoxy-dimethylsilane is sourced from PubChem (CID 11499461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).