trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane

C15H24O2SSi — CID 99864195

IUPACtrimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane
SMILESC=C(C)[C@H](Cc1ccccc1)S(=O)(=O)C[Si](C)(C)C
InChIInChI=1S/C15H24O2SSi/c1-13(2)15(11-14-9-7-6-8-10-14)18(16,17)12-19(3,4)5/h6-10,15H,1,11-12H2,2-5H3/t15-/m0/s1
InChIKeyDJBBNYYWNHHZSC-HNNXBMFYSA-N
MW296.51 g/mol
LogP3.47
Rot. Bonds6

About trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane

trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane (PubChem CID 99864195) has the molecular formula C15H24O2SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane
PubChem CID99864195
Molecular FormulaC15H24O2SSi
Molecular Weight296.51 g/mol
Exact Mass296.13
IUPAC Nametrimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane
SMILESC=C(C)[C@H](Cc1ccccc1)S(=O)(=O)C[Si](C)(C)C
InChIInChI=1S/C15H24O2SSi/c1-13(2)15(11-14-9-7-6-8-10-14)18(16,17)12-19(3,4)5/h6-10,15H,1,11-12H2,2-5H3/t15-/m0/s1
InChIKeyDJBBNYYWNHHZSC-HNNXBMFYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylpropan-2-one
CID 7203560
2-benzyl-3-methylbut-3-enoic acid
CID 57064643
(2R)-2-methylsulfonyl-3-phenylpropanoic acid
CID 93311954
3-phenyl-2-sulfamoylpropanoic acid
CID 70062822
(2S)-2-methylsulfonyl-1,3-diphenylpropan-1-one
CID 135042830
2-methylprop-2-enoic acid;phenylmethanesulfonic acid
CID 160804699
2-heptylsulfonyl-3-phenylpropanoic acid
CID 60793032
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
2-(3-methoxypropylsulfonyl)-3-phenylpropanoic acid
CID 54935646
S-methyl 2-(benzenesulfonyl)-3-phenylpropanethioate
CID 10969265
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
CID 175219227
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane?
The IUPAC name of trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane (CID 99864195) is trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane.
What is the SMILES notation for trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane?
The canonical SMILES for trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane is C=C(C)[C@H](Cc1ccccc1)S(=O)(=O)C[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane?
The InChIKey is DJBBNYYWNHHZSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24O2SSi/c1-13(2)15(11-14-9-7-6-8-10-14)18(16,17)12-19(3,4)5/h6-10,15H,1,11-12H2,2-5H3/t15-/m0/s1.
What are the key properties of trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane?
trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane has a molecular weight of 296.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S)-3-methyl-1-phenylbut-3-en-2-yl]sulfonylmethyl]silane is sourced from PubChem (CID 99864195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).