[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

C27H38CrN2O2Si — CID 135004560

About [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (PubChem CID 135004560) has the molecular formula C27H38CrN2O2Si and a molecular weight of 502.70 g/mol. Its IUPAC name is [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.

Molecular Properties

• Compound Name: [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
• PubChem CID: 135004560
• Molecular Formula: C27H38CrN2O2Si
• Molecular Weight: 502.70 g/mol
• Exact Mass: 502.21
• IUPAC Name: [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
• SMILES: C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H]([Si](C)(C)C)[C@@H]2c2ccco2)C1
• InChI: InChI=1S/C27H38N2O2Si.Cr/c1-19-14-15-21(27(2,3)20-11-8-7-9-12-20)24(17-19)31-18-22-25(23-13-10-16-30-23)26(29-28-22)32(4,5)6;/h7-13,16,19,21,24-26,29H,14-15,17H2,1-6H3;/t19-,21-,24-,25+,26+;/m1./s1
• InChIKey: QMINAADWRVQBIA-NYCSZVISSA-N
• XLogP: 6.04
• TPSA: 46.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.70
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

The IUPAC name of [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (CID 135004560) is [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.

What is the SMILES notation for [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

The canonical SMILES for [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H]([Si](C)(C)C)[C@@H]2c2ccco2)C1.

What is the InChIKey of [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

The InChIKey is QMINAADWRVQBIA-NYCSZVISSA-N. The full InChI is InChI=1S/C27H38N2O2Si.Cr/c1-19-14-15-21(27(2,3)20-11-8-7-9-12-20)24(17-19)31-18-22-25(23-13-10-16-30-23)26(29-28-22)32(4,5)6;/h7-13,16,19,21,24-26,29H,14-15,17H2,1-6H3;/t19-,21-,24-,25+,26+;/m1./s1.

What are the key properties of [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium has a molecular weight of 502.70 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is sourced from PubChem (CID 135004560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).