[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane

C20H38OSi — CID 89068574

IUPAC[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
SMILESC=C[C@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](CC)(CC)CC)CCC[C@]12C
InChIInChI=1S/C20H38OSi/c1-7-16(5)17-13-14-18-19(12-11-15-20(17,18)6)21-22(8-2,9-3)10-4/h7,16-19H,1,8-15H2,2-6H3/t16-,17+,18-,19-,20+/m0/s1
InChIKeyXODMULMBXNHJJJ-LJDSDSDDSA-N
MW322.61 g/mol
LogP6.42
Rot. Bonds7

About [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane

[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane (PubChem CID 89068574) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
PubChem CID89068574
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
SMILESC=C[C@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](CC)(CC)CC)CCC[C@]12C
InChIInChI=1S/C20H38OSi/c1-7-16(5)17-13-14-18-19(12-11-15-20(17,18)6)21-22(8-2,9-3)10-4/h7,16-19H,1,8-15H2,2-6H3/t16-,17+,18-,19-,20+/m0/s1
InChIKeyXODMULMBXNHJJJ-LJDSDSDDSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
The IUPAC name of [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane (CID 89068574) is [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
The canonical SMILES for [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane is C=C[C@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](CC)(CC)CC)CCC[C@]12C.
What is the InChIKey of [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
The InChIKey is XODMULMBXNHJJJ-LJDSDSDDSA-N. The full InChI is InChI=1S/C20H38OSi/c1-7-16(5)17-13-14-18-19(12-11-15-20(17,18)6)21-22(8-2,9-3)10-4/h7,16-19H,1,8-15H2,2-6H3/t16-,17+,18-,19-,20+/m0/s1.
What are the key properties of [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane has a molecular weight of 322.61 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane is sourced from PubChem (CID 89068574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).