[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane

C23H44OSi — CID 70928447

IUPAC[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CCC[C@]2(C)/C(=C\CCCC(C)C)CC[C@@H]12
InChIInChI=1S/C23H44OSi/c1-7-25(8-2,9-3)24-22-15-12-18-23(6)20(16-17-21(22)23)14-11-10-13-19(4)5/h14,19,21-22H,7-13,15-18H2,1-6H3/b20-14-/t21-,22-,23+/m0/s1
InChIKeyILAJTWFYNNNBJZ-ZNOKYQNTSA-N
MW364.69 g/mol
LogP7.73
Rot. Bonds9

About [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane

[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane (PubChem CID 70928447) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane
PubChem CID70928447
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Name[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CCC[C@]2(C)/C(=C\CCCC(C)C)CC[C@@H]12
InChIInChI=1S/C23H44OSi/c1-7-25(8-2,9-3)24-22-15-12-18-23(6)20(16-17-21(22)23)14-11-10-13-19(4)5/h14,19,21-22H,7-13,15-18H2,1-6H3/b20-14-/t21-,22-,23+/m0/s1
InChIKeyILAJTWFYNNNBJZ-ZNOKYQNTSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane?
The IUPAC name of [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane (CID 70928447) is [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane?
The canonical SMILES for [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1CCC[C@]2(C)/C(=C\CCCC(C)C)CC[C@@H]12.
What is the InChIKey of [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane?
The InChIKey is ILAJTWFYNNNBJZ-ZNOKYQNTSA-N. The full InChI is InChI=1S/C23H44OSi/c1-7-25(8-2,9-3)24-22-15-12-18-23(6)20(16-17-21(22)23)14-11-10-13-19(4)5/h14,19,21-22H,7-13,15-18H2,1-6H3/b20-14-/t21-,22-,23+/m0/s1.
What are the key properties of [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane?
[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane has a molecular weight of 364.69 g/mol, XLogP of 7.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane is sourced from PubChem (CID 70928447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).