(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde

C39H56O4Si2 — CID 10675685

IUPAC(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@](C)(COCc2ccccc2)[C@H](C=O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H56O4Si2/c1-37(2,3)44(8,9)43-36-25-26-39(7,30-41-28-31-19-13-10-14-20-31)35(27-40)34(36)29-42-45(38(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,27,34-36H,25-26,28-30H2,1-9H3/t34-,35+,36-,39-/m0/s1
InChIKeyZRUUUQFFTVCICE-OAWHTHRKSA-N
MW645.05 g/mol
LogP8.40
Rot. Bonds12

About (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde

(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde (PubChem CID 10675685) has the molecular formula C39H56O4Si2 and a molecular weight of 645.05 g/mol. Its IUPAC name is (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
PubChem CID10675685
Molecular FormulaC39H56O4Si2
Molecular Weight645.05 g/mol
Exact Mass644.37
IUPAC Name(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@](C)(COCc2ccccc2)[C@H](C=O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H56O4Si2/c1-37(2,3)44(8,9)43-36-25-26-39(7,30-41-28-31-19-13-10-14-20-31)35(27-40)34(36)29-42-45(38(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,27,34-36H,25-26,28-30H2,1-9H3/t34-,35+,36-,39-/m0/s1
InChIKeyZRUUUQFFTVCICE-OAWHTHRKSA-N
XLogP8.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.05
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[[(1R,2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S)-2,2-dimethyl-5-[2-(oxiran-2-yl)propan-2-yl]-1,3-dioxan-4-yl]-3-methyl-3-(phenylmethoxymethyl)cyclohexyl]methoxy]-diphenylsilane
CID 10771709
(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(4R,5S)-2,2-dimethyl-5-(2-methyl-3-oxobutan-2-yl)-1,3-dioxan-4-yl]-1-methylcyclohexane-1-carbaldehyde
CID 10628689
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate
CID 11800366
2-[(1S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-methylidenecyclohexyl]acetaldehyde
CID 11082324
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
2-[(1S,2S,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]acetaldehyde
CID 11193027

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde (CID 10675685) is (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@](C)(COCc2ccccc2)[C@H](C=O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde?
The InChIKey is ZRUUUQFFTVCICE-OAWHTHRKSA-N. The full InChI is InChI=1S/C39H56O4Si2/c1-37(2,3)44(8,9)43-36-25-26-39(7,30-41-28-31-19-13-10-14-20-31)35(27-40)34(36)29-42-45(38(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,27,34-36H,25-26,28-30H2,1-9H3/t34-,35+,36-,39-/m0/s1.
What are the key properties of (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde?
(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde has a molecular weight of 645.05 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 10675685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).