(4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one

C22H36O4Si — CID 101389713

About (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one

(4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one (PubChem CID 101389713) has the molecular formula C22H36O4Si and a molecular weight of 392.61 g/mol. Its IUPAC name is (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one.

Molecular Properties

• Compound Name: (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one
• PubChem CID: 101389713
• Molecular Formula: C22H36O4Si
• Molecular Weight: 392.61 g/mol
• Exact Mass: 392.24
• IUPAC Name: (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one
• SMILES: C=CC[C@]12CC(=O)C=C1[C@](C)(CO[Si](C)(C)C(C)(C)C)CC1(C2)OCCO1
• InChI: InChI=1S/C22H36O4Si/c1-8-9-21-13-17(23)12-18(21)20(5,14-22(15-21)24-10-11-25-22)16-26-27(6,7)19(2,3)4/h8,12H,1,9-11,13-16H2,2-7H3/t20-,21+/m0/s1
• InChIKey: RQYYGRYZAAUZMS-LEWJYISDSA-N
• XLogP: 5.01
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.61
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one?

The IUPAC name of (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one (CID 101389713) is (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one.

What is the SMILES notation for (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one?

The canonical SMILES for (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one is C=CC[C@]12CC(=O)C=C1[C@](C)(CO[Si](C)(C)C(C)(C)C)CC1(C2)OCCO1.

What is the InChIKey of (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one?

The InChIKey is RQYYGRYZAAUZMS-LEWJYISDSA-N. The full InChI is InChI=1S/C22H36O4Si/c1-8-9-21-13-17(23)12-18(21)20(5,14-22(15-21)24-10-11-25-22)16-26-27(6,7)19(2,3)4/h8,12H,1,9-11,13-16H2,2-7H3/t20-,21+/m0/s1.

What are the key properties of (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one?

(4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one has a molecular weight of 392.61 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R,7'aR)-4'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methyl-7'a-prop-2-enylspiro[1,3-dioxolane-2,6'-5,7-dihydro-1H-indene]-2'-one is sourced from PubChem (CID 101389713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).