(3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one

C20H34O2Si — CID 10711812

About (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one

(3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one (PubChem CID 10711812) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one.

Molecular Properties

• Compound Name: (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one
• PubChem CID: 10711812
• Molecular Formula: C20H34O2Si
• Molecular Weight: 334.58 g/mol
• Exact Mass: 334.23
• IUPAC Name: (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one
• SMILES: CC1=C(O[Si](C)(C)C(C)(C)C)CC2CC(=O)CCC(C)(C)/C=C/12
• InChI: InChI=1S/C20H34O2Si/c1-14-17-13-20(5,6)10-9-16(21)11-15(17)12-18(14)22-23(7,8)19(2,3)4/h13,15H,9-12H2,1-8H3/b17-13-
• InChIKey: FMQUDZLZVAZJPG-LGMDPLHJSA-N
• XLogP: 6.01
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	334.58
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one?

The IUPAC name of (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one (CID 10711812) is (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one.

What is the SMILES notation for (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one?

The canonical SMILES for (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one is CC1=C(O[Si](C)(C)C(C)(C)C)CC2CC(=O)CCC(C)(C)/C=C/12.

What is the InChIKey of (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one?

The InChIKey is FMQUDZLZVAZJPG-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-14-17-13-20(5,6)10-9-16(21)11-15(17)12-18(14)22-23(7,8)19(2,3)4/h13,15H,9-12H2,1-8H3/b17-13-.

What are the key properties of (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one?

(3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one has a molecular weight of 334.58 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one is sourced from PubChem (CID 10711812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).