(1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one

C22H36O2Si — CID 146020456

About (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one

(1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one (PubChem CID 146020456) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one.

Molecular Properties

• Compound Name: (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one
• PubChem CID: 146020456
• Molecular Formula: C22H36O2Si
• Molecular Weight: 360.61 g/mol
• Exact Mass: 360.25
• IUPAC Name: (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one
• SMILES: CC(C)[Si](OC1[C@H]2CC(=O)C[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C
• InChI: InChI=1S/C22H36O2Si/c1-13(2)25(14(3)4,15(5)6)24-21-17-11-16(23)12-18(21)20-8-7-19(17)22(20)9-10-22/h7-8,13-15,17-21H,9-12H2,1-6H3/t17-,18+,19-,20+,21?
• InChIKey: QTZPTUXXPAHKIN-JUJYPNOZSA-N
• XLogP: 5.74
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.61
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
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 (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one?

The IUPAC name of (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one (CID 146020456) is (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one.

What is the SMILES notation for (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one?

The canonical SMILES for (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one is CC(C)[Si](OC1[C@H]2CC(=O)C[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C.

What is the InChIKey of (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one?

The InChIKey is QTZPTUXXPAHKIN-JUJYPNOZSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-13(2)25(14(3)4,15(5)6)24-21-17-11-16(23)12-18(21)20-8-7-19(17)22(20)9-10-22/h7-8,13-15,17-21H,9-12H2,1-6H3/t17-,18+,19-,20+,21?.

What are the key properties of (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one?

(1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one has a molecular weight of 360.61 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one is sourced from PubChem (CID 146020456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).