tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane

C21H27FOSi — CID 166439015

IUPACtert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane
SMILESC=C[C@@H](F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27FOSi/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18H,1,16-17H2,2-4H3/t18-/m1/s1
InChIKeyJUMBHJJHDJPWJX-GOSISDBHSA-N
MW342.53 g/mol
LogP4.48
Rot. Bonds7

About tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane

tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane (PubChem CID 166439015) has the molecular formula C21H27FOSi and a molecular weight of 342.53 g/mol. Its IUPAC name is tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane
PubChem CID166439015
Molecular FormulaC21H27FOSi
Molecular Weight342.53 g/mol
Exact Mass342.18
IUPAC Nametert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane
SMILESC=C[C@@H](F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27FOSi/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18H,1,16-17H2,2-4H3/t18-/m1/s1
InChIKeyJUMBHJJHDJPWJX-GOSISDBHSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.48
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

Diphenyldimethoxysilane
CID 81284
1,3-Diphenyltetramethyldisiloxane
CID 5945
Ethoxydimethylphenylsilane
CID 15770
Diphenyldiethoxysilane
CID 75705
Benzene, (diethoxymethylsilyl)-
CID 69891
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Ethoxymethyldiphenylsilane
CID 74576
Methoxytriphenylsilane
CID 74588
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
tert-Butoxy(chloro)diphenylsilane
CID 2735650
(2-Bromoethoxy)(tert-butyl)diphenylsilane
CID 10915442

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane (CID 166439015) is tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane is C=C[C@@H](F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane?
The InChIKey is JUMBHJJHDJPWJX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27FOSi/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18H,1,16-17H2,2-4H3/t18-/m1/s1.
What are the key properties of tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane?
tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane has a molecular weight of 342.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 166439015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).