(6S)-6-triphenylsilylcyclohex-2-en-1-one

C24H22OSi — CID 102273841

IUPAC(6S)-6-triphenylsilylcyclohex-2-en-1-one
SMILESO=C1C=CCC[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22OSi/c25-23-18-10-11-19-24(23)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-10,12-18,24H,11,19H2/t24-/m0/s1
InChIKeyJSSUFWILGSIWLG-DEOSSOPVSA-N
MW354.53 g/mol
LogP3.45
Rot. Bonds4

About (6S)-6-triphenylsilylcyclohex-2-en-1-one

(6S)-6-triphenylsilylcyclohex-2-en-1-one (PubChem CID 102273841) has the molecular formula C24H22OSi and a molecular weight of 354.53 g/mol. Its IUPAC name is (6S)-6-triphenylsilylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-triphenylsilylcyclohex-2-en-1-one
PubChem CID102273841
Molecular FormulaC24H22OSi
Molecular Weight354.53 g/mol
Exact Mass354.14
IUPAC Name(6S)-6-triphenylsilylcyclohex-2-en-1-one
SMILESO=C1C=CCC[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22OSi/c25-23-18-10-11-19-24(23)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-10,12-18,24H,11,19H2/t24-/m0/s1
InChIKeyJSSUFWILGSIWLG-DEOSSOPVSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanone, 3-(dimethylphenylsilyl)-
CID 11053517
3,4-Bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione
CID 11792193
(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
CID 14934032
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
Triphenylsilyl vinyl ketone
CID 15033005
(E)-1-triphenylsilylhept-2-en-1-one
CID 15033619
(2E)-2-(tributylstannylmethylidene)-1-triphenylsilylbutane-1,3-dione
CID 15681859
(E)-3-trimethylsilyl-1-triphenylsilylprop-2-en-1-one
CID 101115089
Silane, (1-oxopropyl)triphenyl-
CID 5172917
Silacyclohexan-4-one, 1,1-diphenyl-
CID 11129264
1,1-Diphenylsilinan-2-one
CID 53699626

Frequently Asked Questions

What is the IUPAC name of (6S)-6-triphenylsilylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-triphenylsilylcyclohex-2-en-1-one (CID 102273841) is (6S)-6-triphenylsilylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-triphenylsilylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-triphenylsilylcyclohex-2-en-1-one is O=C1C=CCC[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6S)-6-triphenylsilylcyclohex-2-en-1-one?
The InChIKey is JSSUFWILGSIWLG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22OSi/c25-23-18-10-11-19-24(23)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-10,12-18,24H,11,19H2/t24-/m0/s1.
What are the key properties of (6S)-6-triphenylsilylcyclohex-2-en-1-one?
(6S)-6-triphenylsilylcyclohex-2-en-1-one has a molecular weight of 354.53 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-triphenylsilylcyclohex-2-en-1-one is sourced from PubChem (CID 102273841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).