tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane

C20H34O3Si — CID 23109702

IUPACtri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane
SMILESCCC(C)O[Si](/C=C/c1ccccc1)(OC(C)CC)OC(C)CC
InChIInChI=1S/C20H34O3Si/c1-7-17(4)21-24(22-18(5)8-2,23-19(6)9-3)16-15-20-13-11-10-12-14-20/h10-19H,7-9H2,1-6H3/b16-15+
InChIKeyLOMNITFLFITQMX-FOCLMDBBSA-N
MW350.57 g/mol
LogP5.62
Rot. Bonds11

About tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane

tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane (PubChem CID 23109702) has the molecular formula C20H34O3Si and a molecular weight of 350.57 g/mol. Its IUPAC name is tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane.

Molecular Properties

Compound Nametri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane
PubChem CID23109702
Molecular FormulaC20H34O3Si
Molecular Weight350.57 g/mol
Exact Mass350.23
IUPAC Nametri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane
SMILESCCC(C)O[Si](/C=C/c1ccccc1)(OC(C)CC)OC(C)CC
InChIInChI=1S/C20H34O3Si/c1-7-17(4)21-24(22-18(5)8-2,23-19(6)9-3)16-15-20-13-11-10-12-14-20/h10-19H,7-9H2,1-6H3/b16-15+
InChIKeyLOMNITFLFITQMX-FOCLMDBBSA-N
XLogP5.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-phenylethenyl]-tripropoxysilane
CID 22325671
trihexoxy(2-phenylethenyl)silane
CID 145052081
ethyl-dihydroxy-[(E)-2-phenylethenyl]silane
CID 10559740
chloro-[(E)-3-phenylprop-2-enoxy]-di(propan-2-yl)silane
CID 101456740
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
triethoxy-[2-[4-(2-triethoxysilylethenyl)phenyl]ethenyl]silane
CID 68851094
tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane
CID 102056330
3-methoxypent-1-enylbenzene
CID 71364960
1,1-diethoxyethane;(Z)-3-phenylprop-2-enal
CID 87487130
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
2-[amino(dimethyl)silyl]ethenylbenzene
CID 70151267
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561

Frequently Asked Questions

What is the IUPAC name of tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane?
The IUPAC name of tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane (CID 23109702) is tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane.
What is the SMILES notation for tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane?
The canonical SMILES for tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane is CCC(C)O[Si](/C=C/c1ccccc1)(OC(C)CC)OC(C)CC.
What is the InChIKey of tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane?
The InChIKey is LOMNITFLFITQMX-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-7-17(4)21-24(22-18(5)8-2,23-19(6)9-3)16-15-20-13-11-10-12-14-20/h10-19H,7-9H2,1-6H3/b16-15+.
What are the key properties of tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane?
tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane has a molecular weight of 350.57 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane is sourced from PubChem (CID 23109702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).