[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane

C22H30O2Si — CID 138972612

IUPAC[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)[C@@H](CCC1OCCCO1)Cc1ccccc1
InChIInChI=1S/C22H30O2Si/c1-25(2,20-12-7-4-8-13-20)21(18-19-10-5-3-6-11-19)14-15-22-23-16-9-17-24-22/h3-8,10-13,21-22H,9,14-18H2,1-2H3/t21-/m0/s1
InChIKeyHAOFFAAAUKLFCG-NRFANRHFSA-N
MW354.57 g/mol
LogP4.76
Rot. Bonds7

About [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane

[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane (PubChem CID 138972612) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane
PubChem CID138972612
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)[C@@H](CCC1OCCCO1)Cc1ccccc1
InChIInChI=1S/C22H30O2Si/c1-25(2,20-12-7-4-8-13-20)21(18-19-10-5-3-6-11-19)14-15-22-23-16-9-17-24-22/h3-8,10-13,21-22H,9,14-18H2,1-2H3/t21-/m0/s1
InChIKeyHAOFFAAAUKLFCG-NRFANRHFSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane
CID 102591373
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
(4R)-4-[dimethyl(phenyl)silyl]-5-(3-methoxyphenyl)pentan-1-ol
CID 71561094
oxan-2-yl(1-phenylpentan-2-yl)silane
CID 173081918
1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
CID 10766972
(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
CID 97293200
1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
CID 102370086
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
CID 97293246
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane (CID 138972612) is [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)[C@@H](CCC1OCCCO1)Cc1ccccc1.
What is the InChIKey of [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane?
The InChIKey is HAOFFAAAUKLFCG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-25(2,20-12-7-4-8-13-20)21(18-19-10-5-3-6-11-19)14-15-22-23-16-9-17-24-22/h3-8,10-13,21-22H,9,14-18H2,1-2H3/t21-/m0/s1.
What are the key properties of [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane?
[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane has a molecular weight of 354.57 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 138972612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).