[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane

C22H36OSi — CID 11067934

IUPAC[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane
SMILESCCCC[C@H]1OCC(C2CCCCC2)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H36OSi/c1-4-5-16-21-22(24(2,3)19-14-10-7-11-15-19)20(17-23-21)18-12-8-6-9-13-18/h7,10-11,14-15,18,20-22H,4-6,8-9,12-13,16-17H2,1-3H3/t20?,21-,22+/m1/s1
InChIKeyWFARUEUCPCTXOK-PDQYLBCOSA-N
MW344.62 g/mol
LogP5.76
Rot. Bonds6

About [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane

[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane (PubChem CID 11067934) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane
PubChem CID11067934
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Name[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane
SMILESCCCC[C@H]1OCC(C2CCCCC2)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H36OSi/c1-4-5-16-21-22(24(2,3)19-14-10-7-11-15-19)20(17-23-21)18-12-8-6-9-13-18/h7,10-11,14-15,18,20-22H,4-6,8-9,12-13,16-17H2,1-3H3/t20?,21-,22+/m1/s1
InChIKeyWFARUEUCPCTXOK-PDQYLBCOSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 55.76
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

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 90726871
cyclopentyloxy-octoxy-diphenylsilane
CID 91732637
(3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-diphenylsilane
CID 123894803
cyclopentyl-dimethyl-phenylsilane
CID 59962320
3-butyl-4-cyclohexylpyrrolidin-2-one
CID 174456342
butoxy-(4-methylcyclohexyl)oxy-diphenylsilane
CID 91741215
6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 5102402
1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane
CID 11135314
dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
CID 101095441
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
(2-butylcyclopentyl)benzene
CID 20616758
(2R)-2-butyl-3-(2-phenylethynyl)oxolane
CID 11746391

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane (CID 11067934) is [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane is CCCC[C@H]1OCC(C2CCCCC2)[C@@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane?
The InChIKey is WFARUEUCPCTXOK-PDQYLBCOSA-N. The full InChI is InChI=1S/C22H36OSi/c1-4-5-16-21-22(24(2,3)19-14-10-7-11-15-19)20(17-23-21)18-12-8-6-9-13-18/h7,10-11,14-15,18,20-22H,4-6,8-9,12-13,16-17H2,1-3H3/t20?,21-,22+/m1/s1.
What are the key properties of [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane?
[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane has a molecular weight of 344.62 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 11067934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).