(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one

C20H22OSi — CID 102411598

IUPAC(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC=C(c2ccccc2)C(=O)C1
InChIInChI=1S/C20H22OSi/c1-22(2,17-11-7-4-8-12-17)18-13-14-19(20(21)15-18)16-9-5-3-6-10-16/h3-12,14,18H,13,15H2,1-2H3/t18-/m1/s1
InChIKeyAJGDQZSVABGVKS-GOSISDBHSA-N
MW306.48 g/mol
LogP4.42
Rot. Bonds3

About (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one

(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one (PubChem CID 102411598) has the molecular formula C20H22OSi and a molecular weight of 306.48 g/mol. Its IUPAC name is (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one
PubChem CID102411598
Molecular FormulaC20H22OSi
Molecular Weight306.48 g/mol
Exact Mass306.14
IUPAC Name(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC=C(c2ccccc2)C(=O)C1
InChIInChI=1S/C20H22OSi/c1-22(2,17-11-7-4-8-12-17)18-13-14-19(20(21)15-18)16-9-5-3-6-10-16/h3-12,14,18H,13,15H2,1-2H3/t18-/m1/s1
InChIKeyAJGDQZSVABGVKS-GOSISDBHSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.42
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

(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
CID 15277926
cyclopentyl-dimethyl-phenylsilane
CID 59962320
trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 13216000
(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one
CID 134948232
2,4-diphenylcyclopent-2-en-1-one
CID 14147527
(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
CID 135063034
cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
(3S)-3-[methyl(diphenyl)silyl]cyclopentan-1-one
CID 11129707
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
CID 10798606
cis-(1R,3S)-3-[dimethyl(phenyl)silyl]cyclohexan-1-ol
CID 101053529
2,4-dimethyl-3-phenylcyclopent-2-en-1-one
CID 14758486

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one?
The IUPAC name of (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one (CID 102411598) is (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one is C[Si](C)(c1ccccc1)[C@@H]1CC=C(c2ccccc2)C(=O)C1.
What is the InChIKey of (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one?
The InChIKey is AJGDQZSVABGVKS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22OSi/c1-22(2,17-11-7-4-8-12-17)18-13-14-19(20(21)15-18)16-9-5-3-6-10-16/h3-12,14,18H,13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one?
(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one has a molecular weight of 306.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 102411598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).