[(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane

C27H52OSi — CID 164705733

About [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane

[(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane (PubChem CID 164705733) has the molecular formula C27H52OSi and a molecular weight of 420.80 g/mol. Its IUPAC name is [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
• PubChem CID: 164705733
• Molecular Formula: C27H52OSi
• Molecular Weight: 420.80 g/mol
• Exact Mass: 420.38
• IUPAC Name: [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
• SMILES: CC/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O[Si](CC)(CC)CC)CC[C@@H]12
• InChI: InChI=1S/C27H52OSi/c1-9-15-23-17-14-21-27(8)24(18-19-25(23)27)22(5)16-13-20-26(6,7)28-29(10-2,11-3)12-4/h15,22,24-25H,9-14,16-21H2,1-8H3/b23-15+/t22-,24-,25+,27-/m1/s1
• InChIKey: VJXDSXUYSLMMEC-ZGCGPXOLSA-N
• XLogP: 9.15
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.80
LogP ≤ 5	9.15
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 [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?

The IUPAC name of [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane (CID 164705733) is [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane.

What is the SMILES notation for [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?

The canonical SMILES for [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane is CC/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O[Si](CC)(CC)CC)CC[C@@H]12.

What is the InChIKey of [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?

The InChIKey is VJXDSXUYSLMMEC-ZGCGPXOLSA-N. The full InChI is InChI=1S/C27H52OSi/c1-9-15-23-17-14-21-27(8)24(18-19-25(23)27)22(5)16-13-20-26(6,7)28-29(10-2,11-3)12-4/h15,22,24-25H,9-14,16-21H2,1-8H3/b23-15+/t22-,24-,25+,27-/m1/s1.

What are the key properties of [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?

[(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane has a molecular weight of 420.80 g/mol, XLogP of 9.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 164705733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).