tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane

C15H32O2Si — CID 134971449

IUPACtert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane
SMILESCOC=CCC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-14(2,3)18(7,8)17-13-11-15(4,5)10-9-12-16-6/h9,12H,10-11,13H2,1-8H3
InChIKeyCMPQRSIYYFPVFM-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.97
Rot. Bonds7

About tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane

tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane (PubChem CID 134971449) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane
PubChem CID134971449
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Nametert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane
SMILESCOC=CCC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-14(2,3)18(7,8)17-13-11-15(4,5)10-9-12-16-6/h9,12H,10-11,13H2,1-8H3
InChIKeyCMPQRSIYYFPVFM-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.97
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane (CID 134971449) is tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane is COC=CCC(C)(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane?
The InChIKey is CMPQRSIYYFPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-14(2,3)18(7,8)17-13-11-15(4,5)10-9-12-16-6/h9,12H,10-11,13H2,1-8H3.
What are the key properties of tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane?
tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane has a molecular weight of 272.50 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-methoxy-3,3-dimethylhex-5-enoxy)-dimethylsilane is sourced from PubChem (CID 134971449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).