3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one

C24H30OSi — CID 11726180

IUPAC3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](/C=C\C1CCCC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30OSi/c1-24(2,3)26(22-13-6-4-7-14-22,23-15-8-5-9-16-23)18-17-20-11-10-12-21(25)19-20/h4-9,13-18,20H,10-12,19H2,1-3H3/b18-17-
InChIKeyMJLKCGXFWBUGEE-ZCXUNETKSA-N
MW362.59 g/mol
LogP4.90
Rot. Bonds4

About 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one

3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one (PubChem CID 11726180) has the molecular formula C24H30OSi and a molecular weight of 362.59 g/mol. Its IUPAC name is 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one
PubChem CID11726180
Molecular FormulaC24H30OSi
Molecular Weight362.59 g/mol
Exact Mass362.21
IUPAC Name3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](/C=C\C1CCCC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30OSi/c1-24(2,3)26(22-13-6-4-7-14-22,23-15-8-5-9-16-23)18-17-20-11-10-12-21(25)19-20/h4-9,13-18,20H,10-12,19H2,1-3H3/b18-17-
InChIKeyMJLKCGXFWBUGEE-ZCXUNETKSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dibenzylidenecyclohexanone
CID 1550330
2,6-Bis(benzylidene)cyclohexanone
CID 95336
3-Pentanone, 2,4-dibenzyl-
CID 134446
(2Z,6Z)-2,6-dibenzylidenecyclohexanone
CID 1550329
2,6-Bis-(3-phenyl-allylidene)-cyclohexanone
CID 5714140
2,6-Dibenzylcyclohexan-1-one
CID 98582
2,6-Bis(3-phenyl-2-propen-1-ylidene)cyclohexanone
CID 263068
2,6-Dibenzylidene-4-methylcyclohexanone
CID 1799215
2,6-Bis(1-phenylethylidene)cyclohexanone
CID 3004411
Cyclohexanone, 4-methyl-2,6-bis(3-phenyl-2-propenylidene)-
CID 3592139
(2E,6E)-2,6-dibenzylidene-3-methylcyclohexan-1-one
CID 5977578
1-Cyclohexyl-3,3-diphenylpropan-1-one
CID 132557223

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one?
The IUPAC name of 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one (CID 11726180) is 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one?
The canonical SMILES for 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one is CC(C)(C)[Si](/C=C\C1CCCC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one?
The InChIKey is MJLKCGXFWBUGEE-ZCXUNETKSA-N. The full InChI is InChI=1S/C24H30OSi/c1-24(2,3)26(22-13-6-4-7-14-22,23-15-8-5-9-16-23)18-17-20-11-10-12-21(25)19-20/h4-9,13-18,20H,10-12,19H2,1-3H3/b18-17-.
What are the key properties of 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one?
3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one has a molecular weight of 362.59 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one is sourced from PubChem (CID 11726180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).