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

C22H33FSi — CID 139675565

IUPAC3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane
SMILESCC/C=C/CCC1CC[Si]2(CC1)CCC(c1ccc(F)cc1)CC2
InChIInChI=1S/C22H33FSi/c1-2-3-4-5-6-19-11-15-24(16-12-19)17-13-21(14-18-24)20-7-9-22(23)10-8-20/h3-4,7-10,19,21H,2,5-6,11-18H2,1H3/b4-3+
InChIKeyDMXDKYHPMLENNS-ONEGZZNKSA-N
MW344.59 g/mol
LogP7.31
Rot. Bonds5

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

3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane (PubChem CID 139675565) has the molecular formula C22H33FSi and a molecular weight of 344.59 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane
PubChem CID139675565
Molecular FormulaC22H33FSi
Molecular Weight344.59 g/mol
Exact Mass344.23
IUPAC Name3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane
SMILESCC/C=C/CCC1CC[Si]2(CC1)CCC(c1ccc(F)cc1)CC2
InChIInChI=1S/C22H33FSi/c1-2-3-4-5-6-19-11-15-24(16-12-19)17-13-21(14-18-24)20-7-9-22(23)10-8-20/h3-4,7-10,19,21H,2,5-6,11-18H2,1H3/b4-3+
InChIKeyDMXDKYHPMLENNS-ONEGZZNKSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane
CID 139674166
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
(2E,4E)-7-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613894
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-fluoro-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]benzene
CID 2189527
1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
CID 134365576

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane?
The IUPAC name of 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane (CID 139675565) is 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane.
What is the SMILES notation for 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane?
The canonical SMILES for 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane is CC/C=C/CCC1CC[Si]2(CC1)CCC(c1ccc(F)cc1)CC2.
What is the InChIKey of 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane?
The InChIKey is DMXDKYHPMLENNS-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H33FSi/c1-2-3-4-5-6-19-11-15-24(16-12-19)17-13-21(14-18-24)20-7-9-22(23)10-8-20/h3-4,7-10,19,21H,2,5-6,11-18H2,1H3/b4-3+.
What are the key properties of 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane?
3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane has a molecular weight of 344.59 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-9-[(E)-hex-3-enyl]-6-silaspiro[5.5]undecane is sourced from PubChem (CID 139675565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).