tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane

C22H38O3Si — CID 102572986

IUPACtris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
SMILESCC(C)(C)O[Si](/C=C/CCc1ccccc1)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C22H38O3Si/c1-20(2,3)23-26(24-21(4,5)6,25-22(7,8)9)18-14-13-17-19-15-11-10-12-16-19/h10-12,14-16,18H,13,17H2,1-9H3/b18-14+
InChIKeyUOKWBNVPTKTKTO-NBVRZTHBSA-N
MW378.63 g/mol
LogP6.10
Rot. Bonds7

About tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane

tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane (PubChem CID 102572986) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane.

Molecular Properties

Compound Nametris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
PubChem CID102572986
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Nametris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
SMILESCC(C)(C)O[Si](/C=C/CCc1ccccc1)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C22H38O3Si/c1-20(2,3)23-26(24-21(4,5)6,25-22(7,8)9)18-14-13-17-19-15-11-10-12-16-19/h10-12,14-16,18H,13,17H2,1-9H3/b18-14+
InChIKeyUOKWBNVPTKTKTO-NBVRZTHBSA-N
XLogP6.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 56.10
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

[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
CID 134879348
tributoxy(4-phenylbut-1-enyl)silane
CID 141377455
[(E)-5,5-dimethoxyhex-3-enyl]benzene
CID 10656559
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
pent-3-enylbenzene
CID 519421
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
2-[(E)-4-phenylbut-1-enyl]pyridine
CID 68904767
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
2-(4-phenylbut-1-enyl)pyridine
CID 68904769
2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
CID 100923189

Frequently Asked Questions

What is the IUPAC name of tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane?
The IUPAC name of tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane (CID 102572986) is tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane.
What is the SMILES notation for tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane?
The canonical SMILES for tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane is CC(C)(C)O[Si](/C=C/CCc1ccccc1)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane?
The InChIKey is UOKWBNVPTKTKTO-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-20(2,3)23-26(24-21(4,5)6,25-22(7,8)9)18-14-13-17-19-15-11-10-12-16-19/h10-12,14-16,18H,13,17H2,1-9H3/b18-14+.
What are the key properties of tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane?
tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane has a molecular weight of 378.63 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane is sourced from PubChem (CID 102572986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).