tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane

C15H30O3Si — CID 100951994

IUPACtert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/COC1CCCCO1
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(4,5)18-13-9-8-12-17-14-10-6-7-11-16-14/h8-9,14H,6-7,10-13H2,1-5H3/b9-8+
InChIKeyWPPIIUFNTMHOEH-CMDGGOBGSA-N
MW286.49 g/mol
LogP4.11
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane

tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane (PubChem CID 100951994) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane
PubChem CID100951994
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nametert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/COC1CCCCO1
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(4,5)18-13-9-8-12-17-14-10-6-7-11-16-14/h8-9,14H,6-7,10-13H2,1-5H3/b9-8+
InChIKeyWPPIIUFNTMHOEH-CMDGGOBGSA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-2-enoxy]oxane
CID 11788432
hydroxy-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509921
hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509935
Dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-prop-2-enoxysilane
CID 134897559
trimethyl-[(Z)-3-(oxan-2-yloxy)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134949433
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
CID 134976827
trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane
CID 134987743
Tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane
CID 162406290
trimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]oxysilane
CID 14906618
2-But-2-enoxyoxane
CID 11744943
Trimethyl-[3-(oxan-2-yloxy)prop-1-enyl]silane
CID 54217825
Tert-butyl-dimethyl-[2-(oxan-2-yloxymethyl)prop-2-enoxy]silane
CID 54390481

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane (CID 100951994) is tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane is CC(C)(C)[Si](C)(C)OC/C=C/COC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane?
The InChIKey is WPPIIUFNTMHOEH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-15(2,3)19(4,5)18-13-9-8-12-17-14-10-6-7-11-16-14/h8-9,14H,6-7,10-13H2,1-5H3/b9-8+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane has a molecular weight of 286.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane is sourced from PubChem (CID 100951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).