3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane

C28H37FSi — CID 139674166

IUPAC3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane
SMILESC=CCCCCC1CC[Si]2(CC1)CCC(c1ccc(-c3ccc(F)cc3)cc1)CC2
InChIInChI=1S/C28H37FSi/c1-2-3-4-5-6-23-15-19-30(20-16-23)21-17-27(18-22-30)25-9-7-24(8-10-25)26-11-13-28(29)14-12-26/h2,7-14,23,27H,1,3-6,15-22H2
InChIKeyXIQLVWFLXYQXFO-UHFFFAOYSA-N
MW420.69 g/mol
LogP8.98
Rot. Bonds7

About 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane

3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane (PubChem CID 139674166) has the molecular formula C28H37FSi and a molecular weight of 420.69 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane
PubChem CID139674166
Molecular FormulaC28H37FSi
Molecular Weight420.69 g/mol
Exact Mass420.26
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane
SMILESC=CCCCCC1CC[Si]2(CC1)CCC(c1ccc(-c3ccc(F)cc3)cc1)CC2
InChIInChI=1S/C28H37FSi/c1-2-3-4-5-6-23-15-19-30(20-16-23)21-17-27(18-22-30)25-9-7-24(8-10-25)26-11-13-28(29)14-12-26/h2,7-14,23,27H,1,3-6,15-22H2
InChIKeyXIQLVWFLXYQXFO-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane
CID 139675565
2-(4-fluorophenyl)-5-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]pyrimidine
CID 70257548
1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950
1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane
CID 22404089
1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
CID 19781034
1-[4-(4-bromobutyl)cyclohexyl]-4-fluorobenzene
CID 22913701
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-(4-butylcyclohexyl)-4-[4-[2-(4-hept-6-enylcyclohexyl)ethenyl]phenyl]benzene
CID 59498984
2-fluoro-4-(4-hept-6-enylcyclohexyl)benzonitrile
CID 21292386
[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid
CID 70462906

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane (CID 139674166) is 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane is C=CCCCCC1CC[Si]2(CC1)CCC(c1ccc(-c3ccc(F)cc3)cc1)CC2.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane?
The InChIKey is XIQLVWFLXYQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FSi/c1-2-3-4-5-6-23-15-19-30(20-16-23)21-17-27(18-22-30)25-9-7-24(8-10-25)26-11-13-28(29)14-12-26/h2,7-14,23,27H,1,3-6,15-22H2.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane?
3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane has a molecular weight of 420.69 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane is sourced from PubChem (CID 139674166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).