[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane

C21H40OSi — CID 135019405

About [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane

[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane (PubChem CID 135019405) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
• PubChem CID: 135019405
• Molecular Formula: C21H40OSi
• Molecular Weight: 336.64 g/mol
• Exact Mass: 336.28
• IUPAC Name: [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
• SMILES: CC[Si](CC)(CC)O[C@@H]1[C@H](C(C)C)CC[C@@H](C)[C@@]12C=C(C)CC2
• InChI: InChI=1S/C21H40OSi/c1-8-23(9-2,10-3)22-20-19(16(4)5)12-11-18(7)21(20)14-13-17(6)15-21/h15-16,18-20H,8-14H2,1-7H3/t18-,19+,20-,21-/m1/s1
• InChIKey: MAGZXYKVLZAUIR-PLACYPQZSA-N
• XLogP: 6.81
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• 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 [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane?

The IUPAC name of [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane (CID 135019405) is [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane.

What is the SMILES notation for [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane?

The canonical SMILES for [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1[C@H](C(C)C)CC[C@@H](C)[C@@]12C=C(C)CC2.

What is the InChIKey of [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane?

The InChIKey is MAGZXYKVLZAUIR-PLACYPQZSA-N. The full InChI is InChI=1S/C21H40OSi/c1-8-23(9-2,10-3)22-20-19(16(4)5)12-11-18(7)21(20)14-13-17(6)15-21/h15-16,18-20H,8-14H2,1-7H3/t18-,19+,20-,21-/m1/s1.

What are the key properties of [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane?

[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane has a molecular weight of 336.64 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane is sourced from PubChem (CID 135019405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).