(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol

C22H42O3Si — CID 11058067

About (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol

(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol (PubChem CID 11058067) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol.

Molecular Properties

• Compound Name: (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol
• PubChem CID: 11058067
• Molecular Formula: C22H42O3Si
• Molecular Weight: 382.66 g/mol
• Exact Mass: 382.29
• IUPAC Name: (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol
• SMILES: CC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1C=C[C@H](O)C1)(C(C)C)C(C)C
• InChI: InChI=1S/C22H42O3Si/c1-16(2)26(17(3)4,18(5)6)25-15-20(12-13-24-22(7,8)9)19-10-11-21(23)14-19/h10-12,16-19,21,23H,13-15H2,1-9H3/b20-12-/t19-,21+/m1/s1
• InChIKey: VXVQNEYRKYZMBW-YRCZSLCMSA-N
• XLogP: 5.86
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.66
LogP ≤ 5	5.86
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 (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol?

The IUPAC name of (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol (CID 11058067) is (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol.

What is the SMILES notation for (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol?

The canonical SMILES for (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol is CC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1C=C[C@H](O)C1)(C(C)C)C(C)C.

What is the InChIKey of (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol?

The InChIKey is VXVQNEYRKYZMBW-YRCZSLCMSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-16(2)26(17(3)4,18(5)6)25-15-20(12-13-24-22(7,8)9)19-10-11-21(23)14-19/h10-12,16-19,21,23H,13-15H2,1-9H3/b20-12-/t19-,21+/m1/s1.

What are the key properties of (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol?

(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol has a molecular weight of 382.66 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-ol is sourced from PubChem (CID 11058067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).