[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane

C22H30O2Si — CID 10383520

IUPAC[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane
SMILESC[C@@H]([C@H]1COC(C)(C)O[C@H]1c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-17(25(4,5)19-14-10-7-11-15-19)20-16-23-22(2,3)24-21(20)18-12-8-6-9-13-18/h6-15,17,20-21H,16H2,1-5H3/t17-,20+,21-/m0/s1
InChIKeyGOIJZSIFYFBYPX-WMQCIHAUSA-N
MW354.57 g/mol
LogP5.13
Rot. Bonds4

About [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane

[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane (PubChem CID 10383520) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane
PubChem CID10383520
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane
SMILESC[C@@H]([C@H]1COC(C)(C)O[C@H]1c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-17(25(4,5)19-14-10-7-11-15-19)20-16-23-22(2,3)24-21(20)18-12-8-6-9-13-18/h6-15,17,20-21H,16H2,1-5H3/t17-,20+,21-/m0/s1
InChIKeyGOIJZSIFYFBYPX-WMQCIHAUSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane with MolForge

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Related Compounds

(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine
CID 15352812
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1-phenylethyl)ethanamine
CID 72529243
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanamine
CID 117316672
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
CID 68893526
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine;N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 158740131
3-(2,2-dimethyl-1,3-dioxolan-4-yl)benzonitrile
CID 117291540
(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate
CID 10473775
butan-2-yl-dimethyl-phenylsilane
CID 102005826
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane?
The IUPAC name of [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane (CID 10383520) is [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane?
The canonical SMILES for [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane is C[C@@H]([C@H]1COC(C)(C)O[C@H]1c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane?
The InChIKey is GOIJZSIFYFBYPX-WMQCIHAUSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-17(25(4,5)19-14-10-7-11-15-19)20-16-23-22(2,3)24-21(20)18-12-8-6-9-13-18/h6-15,17,20-21H,16H2,1-5H3/t17-,20+,21-/m0/s1.
What are the key properties of [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane?
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane has a molecular weight of 354.57 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane is sourced from PubChem (CID 10383520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).