tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane

C13H28OSi — CID 141142275

IUPACtert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane
SMILESC/C=C/C(C)(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-9-11-13(6,10-2)14-15(7,8)12(3,4)5/h9,11H,10H2,1-8H3/b11-9+
InChIKeyKEKPFWRCKOPCIQ-PKNBQFBNSA-N
MW228.45 g/mol
LogP4.75
Rot. Bonds4

About tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane

tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane (PubChem CID 141142275) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane
PubChem CID141142275
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Nametert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane
SMILESC/C=C/C(C)(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-9-11-13(6,10-2)14-15(7,8)12(3,4)5/h9,11H,10H2,1-8H3/b11-9+
InChIKeyKEKPFWRCKOPCIQ-PKNBQFBNSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.75
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-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane (CID 141142275) is tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane is C/C=C/C(C)(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane?
The InChIKey is KEKPFWRCKOPCIQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H28OSi/c1-9-11-13(6,10-2)14-15(7,8)12(3,4)5/h9,11H,10H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane has a molecular weight of 228.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-methylhex-4-en-3-yl]oxysilane is sourced from PubChem (CID 141142275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).