trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane

C20H26OSi — CID 15532498

IUPACtrimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
SMILESC=CC[C@H](O[C@H](c1ccccc1)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-5-12-19(17-13-8-6-9-14-17)21-20(22(2,3)4)18-15-10-7-11-16-18/h5-11,13-16,19-20H,1,12H2,2-4H3/t19-,20-/m0/s1
InChIKeyNDBBYDGXDQOBOA-PMACEKPBSA-N
MW310.51 g/mol
LogP5.94
Rot. Bonds7

About trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane

trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane (PubChem CID 15532498) has the molecular formula C20H26OSi and a molecular weight of 310.51 g/mol. Its IUPAC name is trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
PubChem CID15532498
Molecular FormulaC20H26OSi
Molecular Weight310.51 g/mol
Exact Mass310.18
IUPAC Nametrimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
SMILESC=CC[C@H](O[C@H](c1ccccc1)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-5-12-19(17-13-8-6-9-14-17)21-20(22(2,3)4)18-15-10-7-11-16-18/h5-11,13-16,19-20H,1,12H2,2-4H3/t19-,20-/m0/s1
InChIKeyNDBBYDGXDQOBOA-PMACEKPBSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.51
LogP ≤ 55.94
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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Related Compounds

triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane
CID 11222478
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 10729668
CID 10779896
CID 10779896
[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane
CID 101246046
1-phenylbut-3-enyl carbamate
CID 126509930
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
3-propan-2-yloxyhex-5-en-2-ylbenzene
CID 46868302
CID 177490506
CID 177490506
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane?
The IUPAC name of trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane (CID 15532498) is trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane.
What is the SMILES notation for trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane?
The canonical SMILES for trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane is C=CC[C@H](O[C@H](c1ccccc1)[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane?
The InChIKey is NDBBYDGXDQOBOA-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26OSi/c1-5-12-19(17-13-8-6-9-14-17)21-20(22(2,3)4)18-15-10-7-11-16-18/h5-11,13-16,19-20H,1,12H2,2-4H3/t19-,20-/m0/s1.
What are the key properties of trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane?
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane has a molecular weight of 310.51 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane is sourced from PubChem (CID 15532498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).