(4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol

C22H32F6O2Si — CID 90822200

About (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol

(4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol (PubChem CID 90822200) has the molecular formula C22H32F6O2Si and a molecular weight of 470.57 g/mol. Its IUPAC name is (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol.

Molecular Properties

• Compound Name: (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol
• PubChem CID: 90822200
• Molecular Formula: C22H32F6O2Si
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.21
• IUPAC Name: (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol
• SMILES: C[C@]12CCC[C@H](O)C1CC=C2C1(CC=CC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)CC1
• InChI: InChI=1S/C22H32F6O2Si/c1-18-10-5-7-16(29)15(18)8-9-17(18)19(13-14-19)11-6-12-20(21(23,24)25,22(26,27)28)30-31(2,3)4/h6,9,12,15-16,29H,5,7-8,10-11,13-14H2,1-4H3/t15?,16-,18-/m0/s1
• InChIKey: CBHUVGNHIVMTLA-YLGOGADGSA-N
• XLogP: 6.93
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol?

The IUPAC name of (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol (CID 90822200) is (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol.

What is the SMILES notation for (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol?

The canonical SMILES for (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol is C[C@]12CCC[C@H](O)C1CC=C2C1(CC=CC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)CC1.

What is the InChIKey of (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol?

The InChIKey is CBHUVGNHIVMTLA-YLGOGADGSA-N. The full InChI is InChI=1S/C22H32F6O2Si/c1-18-10-5-7-16(29)15(18)8-9-17(18)19(13-14-19)11-6-12-20(21(23,24)25,22(26,27)28)30-31(2,3)4/h6,9,12,15-16,29H,5,7-8,10-11,13-14H2,1-4H3/t15?,16-,18-/m0/s1.

What are the key properties of (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol?

(4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol has a molecular weight of 470.57 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol is sourced from PubChem (CID 90822200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).