(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid

C32H40O5Si — CID 162745436

IUPAC(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid
SMILESCOc1cc([C@@H](C(=O)O)C2CCCCC2)cc(OC)c1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H40O5Si/c1-32(2,3)38(25-17-11-7-12-18-25,26-19-13-8-14-20-26)37-30-27(35-4)21-24(22-28(30)36-5)29(31(33)34)23-15-9-6-10-16-23/h7-8,11-14,17-23,29H,6,9-10,15-16H2,1-5H3,(H,33,34)/t29-/m0/s1
InChIKeyLXUZRLPYZOHENZ-LJAQVGFWSA-N
MW532.75 g/mol
LogP6.39
Rot. Bonds9

About (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid

(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid (PubChem CID 162745436) has the molecular formula C32H40O5Si and a molecular weight of 532.75 g/mol. Its IUPAC name is (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid
PubChem CID162745436
Molecular FormulaC32H40O5Si
Molecular Weight532.75 g/mol
Exact Mass532.26
IUPAC Name(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid
SMILESCOc1cc([C@@H](C(=O)O)C2CCCCC2)cc(OC)c1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H40O5Si/c1-32(2,3)38(25-17-11-7-12-18-25,26-19-13-8-14-20-26)37-30-27(35-4)21-24(22-28(30)36-5)29(31(33)34)23-15-9-6-10-16-23/h7-8,11-14,17-23,29H,6,9-10,15-16H2,1-5H3,(H,33,34)/t29-/m0/s1
InChIKeyLXUZRLPYZOHENZ-LJAQVGFWSA-N
XLogP6.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.75
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid 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

(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-5-methylphenyl]-2-cyclohexylacetic acid
CID 174084147
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 83838639
tert-butyl 1-[2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 123462936
[4-(9-bromonon-1-ynyl)-2,6-dimethoxyphenoxy]-tert-butyl-diphenylsilane
CID 22164963
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
2-[cyclohexyl(phenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 67638650
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid
CID 82666909
[(2S)-butan-2-yl] (2R)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 122584195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid?
The IUPAC name of (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid (CID 162745436) is (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid.
What is the SMILES notation for (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid?
The canonical SMILES for (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid is COc1cc([C@@H](C(=O)O)C2CCCCC2)cc(OC)c1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid?
The InChIKey is LXUZRLPYZOHENZ-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H40O5Si/c1-32(2,3)38(25-17-11-7-12-18-25,26-19-13-8-14-20-26)37-30-27(35-4)21-24(22-28(30)36-5)29(31(33)34)23-15-9-6-10-16-23/h7-8,11-14,17-23,29H,6,9-10,15-16H2,1-5H3,(H,33,34)/t29-/m0/s1.
What are the key properties of (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid?
(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid has a molecular weight of 532.75 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid is sourced from PubChem (CID 162745436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).