trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one

C20H24OSi — CID 13216000

IUPACtrans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24OSi/c1-22(2,19-11-7-4-8-12-19)20-14-17(13-18(21)15-20)16-9-5-3-6-10-16/h3-12,17,20H,13-15H2,1-2H3/t17-,20+/m1/s1
InChIKeyWEEKMMFADOURAJ-XLIONFOSSA-N
MW308.50 g/mol
LogP4.51
Rot. Bonds3

About trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one

trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one (PubChem CID 13216000) has the molecular formula C20H24OSi and a molecular weight of 308.50 g/mol. Its IUPAC name is trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
PubChem CID13216000
Molecular FormulaC20H24OSi
Molecular Weight308.50 g/mol
Exact Mass308.16
IUPAC Nametrans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24OSi/c1-22(2,19-11-7-4-8-12-19)20-14-17(13-18(21)15-20)16-9-5-3-6-10-16/h3-12,17,20H,13-15H2,1-2H3/t17-,20+/m1/s1
InChIKeyWEEKMMFADOURAJ-XLIONFOSSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.51
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

trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
3-oxo-5-phenylcyclohexane-1-carbaldehyde
CID 22007917
4,6-diphenyloxan-2-one
CID 78061466
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(3S)-3-[methyl(diphenyl)silyl]cyclopentan-1-one
CID 11129707
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one
CID 102411598
cis-(3S,5R)-3-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-5-phenylcyclohexan-1-one
CID 28503898
cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
CID 135063034
2,6-diphenyloxan-4-one
CID 500287
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626

Frequently Asked Questions

What is the IUPAC name of trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one?
The IUPAC name of trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one (CID 13216000) is trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one.
What is the SMILES notation for trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one?
The canonical SMILES for trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one is C[Si](C)(c1ccccc1)[C@@H]1CC(=O)C[C@@H](c2ccccc2)C1.
What is the InChIKey of trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one?
The InChIKey is WEEKMMFADOURAJ-XLIONFOSSA-N. The full InChI is InChI=1S/C20H24OSi/c1-22(2,19-11-7-4-8-12-19)20-14-17(13-18(21)15-20)16-9-5-3-6-10-16/h3-12,17,20H,13-15H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one?
trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one has a molecular weight of 308.50 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one is sourced from PubChem (CID 13216000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).