trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol

C19H32O2Si — CID 152761562

IUPACtrans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCCC(O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-19(2,3)22(4,5)21-14-16-12-9-13-17(20)18(16)15-10-7-6-8-11-15/h6-8,10-11,16-18,20H,9,12-14H2,1-5H3/t16-,17?,18-/m1/s1
InChIKeyGORAFDLFCVGJAL-GVYDCBATSA-N
MW320.55 g/mol
LogP4.95
Rot. Bonds4

About trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol

trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol (PubChem CID 152761562) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
PubChem CID152761562
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametrans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCCC(O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-19(2,3)22(4,5)21-14-16-12-9-13-17(20)18(16)15-10-7-6-8-11-15/h6-8,10-11,16-18,20H,9,12-14H2,1-5H3/t16-,17?,18-/m1/s1
InChIKeyGORAFDLFCVGJAL-GVYDCBATSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3R)-N-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-amine
CID 22885654
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
CID 101232144
cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol
CID 90087347
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
trimethyl-[(2-phenylcyclohexyl)methoxy]silane
CID 144768157
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol?
The IUPAC name of trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol (CID 152761562) is trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1CCCC(O)[C@@H]1c1ccccc1.
What is the InChIKey of trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol?
The InChIKey is GORAFDLFCVGJAL-GVYDCBATSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-19(2,3)22(4,5)21-14-16-12-9-13-17(20)18(16)15-10-7-6-8-11-15/h6-8,10-11,16-18,20H,9,12-14H2,1-5H3/t16-,17?,18-/m1/s1.
What are the key properties of trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol?
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol has a molecular weight of 320.55 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 152761562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).