(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol

C12H26O3Si — CID 164675419

IUPAC(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](O)[C@H](O)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,15-16(3,4)5)9-6-7-10(13)11(14)8-9/h9-11,13-14H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyGPJYRCNJVAOVBJ-GMTAPVOTSA-N
MW246.42 g/mol
LogP2.14
Rot. Bonds3

About (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol

(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol (PubChem CID 164675419) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol
PubChem CID164675419
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](O)[C@H](O)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,15-16(3,4)5)9-6-7-10(13)11(14)8-9/h9-11,13-14H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyGPJYRCNJVAOVBJ-GMTAPVOTSA-N
XLogP2.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol?
The IUPAC name of (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol (CID 164675419) is (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol.
What is the SMILES notation for (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol?
The canonical SMILES for (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol is CC(C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](O)[C@H](O)C1.
What is the InChIKey of (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol?
The InChIKey is GPJYRCNJVAOVBJ-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,15-16(3,4)5)9-6-7-10(13)11(14)8-9/h9-11,13-14H,6-8H2,1-5H3/t9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol?
(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol has a molecular weight of 246.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol is sourced from PubChem (CID 164675419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).