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

C25H48O2Si2 — CID 57071558

IUPAC[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
SMILESC[C@H](C[C@@H]1C=C[C@](C)(O[Si](C)(C)C)C1)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C
InChIInChI=1S/C25H48O2Si2/c1-19(17-20-14-16-24(2,18-20)27-29(7,8)9)21-12-13-22-23(26-28(4,5)6)11-10-15-25(21,22)3/h14,16,19-23H,10-13,15,17-18H2,1-9H3/t19-,20+,21-,22?,23?,24+,25-/m1/s1
InChIKeyOFVGYOOPWVZXNN-HBUFIOEKSA-N
MW436.83 g/mol
LogP7.64
Rot. Bonds7

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

[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane (PubChem CID 57071558) has the molecular formula C25H48O2Si2 and a molecular weight of 436.83 g/mol. Its IUPAC name is [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
PubChem CID57071558
Molecular FormulaC25H48O2Si2
Molecular Weight436.83 g/mol
Exact Mass436.32
IUPAC Name[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
SMILESC[C@H](C[C@@H]1C=C[C@](C)(O[Si](C)(C)C)C1)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C
InChIInChI=1S/C25H48O2Si2/c1-19(17-20-14-16-24(2,18-20)27-29(7,8)9)21-12-13-22-23(26-28(4,5)6)11-10-15-25(21,22)3/h14,16,19-23H,10-13,15,17-18H2,1-9H3/t19-,20+,21-,22?,23?,24+,25-/m1/s1
InChIKeyOFVGYOOPWVZXNN-HBUFIOEKSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.83
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane (CID 57071558) is [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane is C[C@H](C[C@@H]1C=C[C@](C)(O[Si](C)(C)C)C1)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C.
What is the InChIKey of [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane?
The InChIKey is OFVGYOOPWVZXNN-HBUFIOEKSA-N. The full InChI is InChI=1S/C25H48O2Si2/c1-19(17-20-14-16-24(2,18-20)27-29(7,8)9)21-12-13-22-23(26-28(4,5)6)11-10-15-25(21,22)3/h14,16,19-23H,10-13,15,17-18H2,1-9H3/t19-,20+,21-,22?,23?,24+,25-/m1/s1.
What are the key properties of [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane?
[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane has a molecular weight of 436.83 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 57071558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).