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

C21H40OSi — CID 67765230

IUPAC[(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
SMILESC=CC[C@H](C)C1CCC2C(O[Si](CC)(CC)CC)CCC[C@@]21C
InChIInChI=1S/C21H40OSi/c1-7-12-17(5)18-14-15-19-20(13-11-16-21(18,19)6)22-23(8-2,9-3)10-4/h7,17-20H,1,8-16H2,2-6H3/t17-,18?,19?,20?,21+/m0/s1
InChIKeyFYMFVGFFJFJKMV-PYXOFBEQSA-N
MW336.64 g/mol
LogP6.81
Rot. Bonds8

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

[(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane (PubChem CID 67765230) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
PubChem CID67765230
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name[(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
SMILESC=CC[C@H](C)C1CCC2C(O[Si](CC)(CC)CC)CCC[C@@]21C
InChIInChI=1S/C21H40OSi/c1-7-12-17(5)18-14-15-19-20(13-11-16-21(18,19)6)22-23(8-2,9-3)10-4/h7,17-20H,1,8-16H2,2-6H3/t17-,18?,19?,20?,21+/m0/s1
InChIKeyFYMFVGFFJFJKMV-PYXOFBEQSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.81
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 [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
The IUPAC name of [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane (CID 67765230) is [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
The canonical SMILES for [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane is C=CC[C@H](C)C1CCC2C(O[Si](CC)(CC)CC)CCC[C@@]21C.
What is the InChIKey of [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
The InChIKey is FYMFVGFFJFJKMV-PYXOFBEQSA-N. The full InChI is InChI=1S/C21H40OSi/c1-7-12-17(5)18-14-15-19-20(13-11-16-21(18,19)6)22-23(8-2,9-3)10-4/h7,17-20H,1,8-16H2,2-6H3/t17-,18?,19?,20?,21+/m0/s1.
What are the key properties of [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane?
[(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane has a molecular weight of 336.64 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aR)-7a-methyl-1-[(2S)-pent-4-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane is sourced from PubChem (CID 67765230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).