[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane

C16H26Si — CID 136865379

IUPAC[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane
SMILES[2H][C@H]1CCCCC1[Si](C)(C)CCc1ccccc1
InChIInChI=1S/C16H26Si/c1-17(2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3/i11D/t11-,16?/m0/s1
InChIKeyKGEISZNYPMOFLT-AWIHMGDQSA-N
MW247.48 g/mol
LogP5.27
Rot. Bonds4

About [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane

[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane (PubChem CID 136865379) has the molecular formula C16H26Si and a molecular weight of 247.48 g/mol. Its IUPAC name is [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane.

Molecular Properties

Compound Name[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane
PubChem CID136865379
Molecular FormulaC16H26Si
Molecular Weight247.48 g/mol
Exact Mass247.19
IUPAC Name[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane
SMILES[2H][C@H]1CCCCC1[Si](C)(C)CCc1ccccc1
InChIInChI=1S/C16H26Si/c1-17(2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3/i11D/t11-,16?/m0/s1
InChIKeyKGEISZNYPMOFLT-AWIHMGDQSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(oxolan-2-yl)-(2-phenylethyl)silane
CID 13268601
2-phenylethylcyclooctane
CID 54073487
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
cyclohexyl-[dimethyl(2-trimethylsilylethyl)silyl]-methyl-phenylsilane
CID 22950743
cyclopentyl-dimethyl-phenylsilane
CID 59962320
cyclopentyl-methyl-diphenylsilane
CID 123376620
2-[[[dimethyl(2-phenylethyl)silyl]amino]-dimethylsilyl]ethylbenzene
CID 12890431
dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
CID 21024225
(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
CID 101036609
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
CID 11402379
CID 11402379
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
The IUPAC name of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane (CID 136865379) is [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane.
What is the SMILES notation for [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
The canonical SMILES for [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane is [2H][C@H]1CCCCC1[Si](C)(C)CCc1ccccc1.
What is the InChIKey of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
The InChIKey is KGEISZNYPMOFLT-AWIHMGDQSA-N. The full InChI is InChI=1S/C16H26Si/c1-17(2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3/i11D/t11-,16?/m0/s1.
What are the key properties of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane has a molecular weight of 247.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane is sourced from PubChem (CID 136865379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).