2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid

C28H40O4Si — CID 69058871

IUPAC2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCC1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C28H40O4Si/c1-27(2,3)33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)32-21-23-14-12-13-22(19-23)20-31-28(4,5)26(29)30/h6-11,15-18,22-23H,12-14,19-21H2,1-5H3,(H,29,30)/t22?,23-/m1/s1
InChIKeyWBXVJHSJBWRJOB-OZAIVSQSSA-N
MW468.71 g/mol
LogP5.25
Rot. Bonds9

About 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid

2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid (PubChem CID 69058871) has the molecular formula C28H40O4Si and a molecular weight of 468.71 g/mol. Its IUPAC name is 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
PubChem CID69058871
Molecular FormulaC28H40O4Si
Molecular Weight468.71 g/mol
Exact Mass468.27
IUPAC Name2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCC1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C28H40O4Si/c1-27(2,3)33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)32-21-23-14-12-13-22(19-23)20-31-28(4,5)26(29)30/h6-11,15-18,22-23H,12-14,19-21H2,1-5H3,(H,29,30)/t22?,23-/m1/s1
InChIKeyWBXVJHSJBWRJOB-OZAIVSQSSA-N
XLogP5.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.71
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid with MolForge

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Related Compounds

tert-butyl 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate
CID 69060280
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
CID 159922386
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid (CID 69058871) is 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid is CC(C)(OCC1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C(=O)O.
What is the InChIKey of 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
The InChIKey is WBXVJHSJBWRJOB-OZAIVSQSSA-N. The full InChI is InChI=1S/C28H40O4Si/c1-27(2,3)33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)32-21-23-14-12-13-22(19-23)20-31-28(4,5)26(29)30/h6-11,15-18,22-23H,12-14,19-21H2,1-5H3,(H,29,30)/t22?,23-/m1/s1.
What are the key properties of 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid has a molecular weight of 468.71 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 69058871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).