trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol

C16H26OSi — CID 71423247

IUPACtrans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](O)C[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H26OSi/c1-16(2)11-10-13(17)12-15(16)18(3,4)14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyRUOMZVZTFASEJC-UKRRQHHQSA-N
MW262.47 g/mol
LogP3.54
Rot. Bonds2

About trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol

trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 71423247) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID71423247
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Nametrans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](O)C[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H26OSi/c1-16(2)11-10-13(17)12-15(16)18(3,4)14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyRUOMZVZTFASEJC-UKRRQHHQSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
cis-(1R,3S)-3-[dimethyl(phenyl)silyl]cyclohexan-1-ol
CID 101053529
(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol
CID 23229017
(1S,2R,4S)-2-benzyl-7,7-dimethylcycloheptane-1,4-diol
CID 102291844
cyclopentyl-dimethyl-phenylsilane
CID 59962320
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
CID 134904089
methyl (4aS,5S,8aR)-5-[dimethyl(phenyl)silyl]-1-hydroxy-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalene-4a-carboxylate
CID 101237474
dimethyl-phenyl-[2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
CID 134904088
1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one
CID 165491790
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol
CID 123510239

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol (CID 71423247) is trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CC[C@@H](O)C[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is RUOMZVZTFASEJC-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H26OSi/c1-16(2)11-10-13(17)12-15(16)18(3,4)14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol?
trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 262.47 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 71423247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).