triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane

C23H31FOSi — CID 11222478

IUPACtriethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane
SMILESC=CC[C@H](O[C@H](c1ccccc1)[Si](CC)(CC)CC)c1ccc(F)cc1
InChIInChI=1S/C23H31FOSi/c1-5-12-22(19-15-17-21(24)18-16-19)25-23(20-13-10-9-11-14-20)26(6-2,7-3)8-4/h5,9-11,13-18,22-23H,1,6-8,12H2,2-4H3/t22-,23-/m0/s1
InChIKeyVYDJQGJVFWSEJK-GOTSBHOMSA-N
MW370.58 g/mol
LogP7.25
Rot. Bonds10

About triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane

triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane (PubChem CID 11222478) has the molecular formula C23H31FOSi and a molecular weight of 370.58 g/mol. Its IUPAC name is triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane.

Molecular Properties

Compound Nametriethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane
PubChem CID11222478
Molecular FormulaC23H31FOSi
Molecular Weight370.58 g/mol
Exact Mass370.21
IUPAC Nametriethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane
SMILESC=CC[C@H](O[C@H](c1ccccc1)[Si](CC)(CC)CC)c1ccc(F)cc1
InChIInChI=1S/C23H31FOSi/c1-5-12-22(19-15-17-21(24)18-16-19)25-23(20-13-10-9-11-14-20)26(6-2,7-3)8-4/h5,9-11,13-18,22-23H,1,6-8,12H2,2-4H3/t22-,23-/m0/s1
InChIKeyVYDJQGJVFWSEJK-GOTSBHOMSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.25
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

trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
CID 10779896
CID 10779896
triethyl-[(1S)-1-phenylprop-2-enyl]silane
CID 134981282
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
1-fluoro-4-[2-iodo-1-(1-phenylethoxy)ethyl]benzene
CID 114772880
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099
chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 10729668
CID 177490506
CID 177490506
ethene;1-fluoro-4-(1-phenylethyl)benzene
CID 144850475
1-phenylbut-3-enyl carbamate
CID 126509930
1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene
CID 132607653
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
CID 141324815

Frequently Asked Questions

What is the IUPAC name of triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane?
The IUPAC name of triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane (CID 11222478) is triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane.
What is the SMILES notation for triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane?
The canonical SMILES for triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane is C=CC[C@H](O[C@H](c1ccccc1)[Si](CC)(CC)CC)c1ccc(F)cc1.
What is the InChIKey of triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane?
The InChIKey is VYDJQGJVFWSEJK-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H31FOSi/c1-5-12-22(19-15-17-21(24)18-16-19)25-23(20-13-10-9-11-14-20)26(6-2,7-3)8-4/h5,9-11,13-18,22-23H,1,6-8,12H2,2-4H3/t22-,23-/m0/s1.
What are the key properties of triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane?
triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane has a molecular weight of 370.58 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane is sourced from PubChem (CID 11222478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).