(4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one

C20H34O2Si — CID 134978490

About (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one

(4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one (PubChem CID 134978490) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

• Compound Name: (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one
• PubChem CID: 134978490
• Molecular Formula: C20H34O2Si
• Molecular Weight: 334.58 g/mol
• Exact Mass: 334.23
• IUPAC Name: (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one
• SMILES: CC(C)=C1C[C@@H]2C(=O)CCC[C@]2(C)C=C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H34O2Si/c1-14(2)15-12-16-17(21)10-9-11-20(16,6)13-18(15)22-23(7,8)19(3,4)5/h13,16H,9-12H2,1-8H3/t16-,20-/m1/s1
• InChIKey: RFJDQFRDCKYZAX-OXQOHEQNSA-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 (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one?

The IUPAC name of (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one (CID 134978490) is (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one.

What is the SMILES notation for (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one?

The canonical SMILES for (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one is CC(C)=C1C[C@@H]2C(=O)CCC[C@]2(C)C=C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one?

The InChIKey is RFJDQFRDCKYZAX-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-14(2)15-12-16-17(21)10-9-11-20(16,6)13-18(15)22-23(7,8)19(3,4)5/h13,16H,9-12H2,1-8H3/t16-,20-/m1/s1.

What are the key properties of (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one?

(4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-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 (4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 134978490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).