[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C31H60O2Si2 — CID 57055496

IUPAC[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](C[C@@H]1C=C[C@](C)(O[Si](C)(C)C(C)(C)C)C1)[C@H]1CCC2C(O[Si](C)(C)C(C)(C)C)CCC[C@@]21C
InChIInChI=1S/C31H60O2Si2/c1-23(21-24-18-20-30(8,22-24)33-35(12,13)29(5,6)7)25-16-17-26-27(15-14-19-31(25,26)9)32-34(10,11)28(2,3)4/h18,20,23-27H,14-17,19,21-22H2,1-13H3/t23-,24+,25-,26?,27?,30+,31-/m1/s1
InChIKeyCMFZNHIPFJFKQI-UYRQKZGVSA-N
MW520.99 g/mol
LogP9.98
Rot. Bonds7

About [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 57055496) has the molecular formula C31H60O2Si2 and a molecular weight of 520.99 g/mol. Its IUPAC name is [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID57055496
Molecular FormulaC31H60O2Si2
Molecular Weight520.99 g/mol
Exact Mass520.41
IUPAC Name[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](C[C@@H]1C=C[C@](C)(O[Si](C)(C)C(C)(C)C)C1)[C@H]1CCC2C(O[Si](C)(C)C(C)(C)C)CCC[C@@]21C
InChIInChI=1S/C31H60O2Si2/c1-23(21-24-18-20-30(8,22-24)33-35(12,13)29(5,6)7)25-16-17-26-27(15-14-19-31(25,26)9)32-34(10,11)28(2,3)4/h18,20,23-27H,14-17,19,21-22H2,1-13H3/t23-,24+,25-,26?,27?,30+,31-/m1/s1
InChIKeyCMFZNHIPFJFKQI-UYRQKZGVSA-N
XLogP9.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.99
LogP ≤ 59.98
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,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 57055496) is [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is C[C@H](C[C@@H]1C=C[C@](C)(O[Si](C)(C)C(C)(C)C)C1)[C@H]1CCC2C(O[Si](C)(C)C(C)(C)C)CCC[C@@]21C.
What is the InChIKey of [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CMFZNHIPFJFKQI-UYRQKZGVSA-N. The full InChI is InChI=1S/C31H60O2Si2/c1-23(21-24-18-20-30(8,22-24)33-35(12,13)29(5,6)7)25-16-17-26-27(15-14-19-31(25,26)9)32-34(10,11)28(2,3)4/h18,20,23-27H,14-17,19,21-22H2,1-13H3/t23-,24+,25-,26?,27?,30+,31-/m1/s1.
What are the key properties of [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 520.99 g/mol, XLogP of 9.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57055496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).