[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

C21H40OSi — CID 11359646

About [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11359646) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 11359646
• Molecular Formula: C21H40OSi
• Molecular Weight: 336.64 g/mol
• Exact Mass: 336.28
• IUPAC Name: [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H40OSi/c1-16-11-12-18-20(5,6)13-10-14-21(18,7)17(16)15-22-23(8,9)19(2,3)4/h17-18H,1,10-15H2,2-9H3/t17-,18-,21+/m0/s1
• InChIKey: PNWDWASYDLWVFF-BBTUJRGHSA-N
• XLogP: 6.81
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.64
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11359646) is [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is PNWDWASYDLWVFF-BBTUJRGHSA-N. The full InChI is InChI=1S/C21H40OSi/c1-16-11-12-18-20(5,6)13-10-14-21(18,7)17(16)15-22-23(8,9)19(2,3)4/h17-18H,1,10-15H2,2-9H3/t17-,18-,21+/m0/s1.

What are the key properties of [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?

[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 336.64 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11359646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).