trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol

C22H36O3Si — CID 10785793

About trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol

trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol (PubChem CID 10785793) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol
• PubChem CID: 10785793
• Molecular Formula: C22H36O3Si
• Molecular Weight: 376.61 g/mol
• Exact Mass: 376.24
• IUPAC Name: trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol
• SMILES: C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCCC[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C22H36O3Si/c1-7-19(25-26(5,6)21(2,3)4)22(23)16-12-11-15-20(22)24-17-18-13-9-8-10-14-18/h7-10,13-14,19-20,23H,1,11-12,15-17H2,2-6H3/t19-,20+,22+/m1/s1
• InChIKey: JUBAIZVZXKOGBL-URVUXULASA-N
• XLogP: 5.45
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.61
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol?

The IUPAC name of trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol (CID 10785793) is trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol.

What is the SMILES notation for trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol?

The canonical SMILES for trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCCC[C@@H]1OCc1ccccc1.

What is the InChIKey of trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol?

The InChIKey is JUBAIZVZXKOGBL-URVUXULASA-N. The full InChI is InChI=1S/C22H36O3Si/c1-7-19(25-26(5,6)21(2,3)4)22(23)16-12-11-15-20(22)24-17-18-13-9-8-10-14-18/h7-10,13-14,19-20,23H,1,11-12,15-17H2,2-6H3/t19-,20+,22+/m1/s1.

What are the key properties of trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol?

trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol has a molecular weight of 376.61 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 10785793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).