[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C29H47NO4Si — CID 11352581

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESC/C=C(/CN(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C29H47NO4Si/c1-10-23(35(8,9)24-14-12-11-13-15-24)19-30(28(32)34-29(5,6)7)20-27(31)33-26-18-22(4)16-17-25(26)21(2)3/h10-15,21-22,25-26H,16-20H2,1-9H3/b23-10-/t22-,25+,26-/m1/s1
InChIKeyAFYYPPBYABEHAN-NCNVCOOXSA-N
MW501.78 g/mol
LogP6.33
Rot. Bonds8

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 11352581) has the molecular formula C29H47NO4Si and a molecular weight of 501.78 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID11352581
Molecular FormulaC29H47NO4Si
Molecular Weight501.78 g/mol
Exact Mass501.33
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESC/C=C(/CN(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C29H47NO4Si/c1-10-23(35(8,9)24-14-12-11-13-15-24)19-30(28(32)34-29(5,6)7)20-27(31)33-26-18-22(4)16-17-25(26)21(2)3/h10-15,21-22,25-26H,16-20H2,1-9H3/b23-10-/t22-,25+,26-/m1/s1
InChIKeyAFYYPPBYABEHAN-NCNVCOOXSA-N
XLogP6.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate 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 N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-methyl-3-phenyl-2-trimethylsilylpropanoate
CID 14001581
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
CID 10550707
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxy-3-phenylbutanoate
CID 149190489
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 129275336
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 11374604
tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 11189251
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-phenylbutanoate
CID 7053819
[2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-triphenylphosphanium
CID 98143975
(5-methyl-2-propan-2-ylcyclohexyl) 2-[[(1S)-1-phenylethyl]amino]acetate
CID 70259462
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzamidoacetate
CID 101139746
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]-triphenylphosphanium bromide
CID 18558600

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 11352581) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is C/C=C(/CN(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is AFYYPPBYABEHAN-NCNVCOOXSA-N. The full InChI is InChI=1S/C29H47NO4Si/c1-10-23(35(8,9)24-14-12-11-13-15-24)19-30(28(32)34-29(5,6)7)20-27(31)33-26-18-22(4)16-17-25(26)21(2)3/h10-15,21-22,25-26H,16-20H2,1-9H3/b23-10-/t22-,25+,26-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 501.78 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 11352581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).