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

C25H48O3Si2 — CID 139666035

IUPAC[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
SMILESC[C@@H](CO[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/C25H48O3Si2/c1-19(18-26-20-14-16-24(2,17-20)28-30(7,8)9)21-12-13-22-23(27-29(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+/m0/s1
InChIKeyXNIBCEATDUXUSF-SNFAXLIXSA-N
MW452.83 g/mol
LogP7.01
Rot. Bonds8

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

[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane (PubChem CID 139666035) has the molecular formula C25H48O3Si2 and a molecular weight of 452.83 g/mol. Its IUPAC name is [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-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-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
PubChem CID139666035
Molecular FormulaC25H48O3Si2
Molecular Weight452.83 g/mol
Exact Mass452.31
IUPAC Name[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
SMILESC[C@@H](CO[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/C25H48O3Si2/c1-19(18-26-20-14-16-24(2,17-20)28-30(7,8)9)21-12-13-22-23(27-29(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+/m0/s1
InChIKeyXNIBCEATDUXUSF-SNFAXLIXSA-N
XLogP7.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.83
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane with MolForge

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Related Compounds

(1S,4S)-4-[(2R)-2-[(1R,7aS)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-ol
CID 70187624
(1R,7aR)-1-[(2R)-1-[(1S,4R)-4-hydroxy-4-methylcyclopent-2-en-1-yl]oxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 139666042
[(1S,4S)-4-[(2R)-2-[(1R,4E,7aR)-4-(iodomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propoxy]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 22882728
[(1S,4S)-4-[(2R)-2-[(1R,7aS)-4-(iodomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propoxy]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 70187588
tert-butyl-[[(4S)-1-[(2R)-1-iodopropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy]-dimethylsilane
CID 58672922
2-[(1R,3aR,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 58906178
[(2S)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] 2,2-dimethylpropanoate
CID 68939165
(1R,3aR,4S,7aR)-1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 139917251
[(1R,3aR,4S,7aR)-7a-methyl-1-pent-4-yn-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 174105626
(3S)-3-[(1R,3aR,4S)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butan-1-ol
CID 70991775
(3R)-3-[(3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanal
CID 140609927
4-[(1R,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pentanenitrile
CID 174053985

Frequently Asked Questions

What is the IUPAC name of [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-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-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane (CID 139666035) is [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-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-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-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-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane is C[C@@H](CO[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-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane?
The InChIKey is XNIBCEATDUXUSF-SNFAXLIXSA-N. The full InChI is InChI=1S/C25H48O3Si2/c1-19(18-26-20-14-16-24(2,17-20)28-30(7,8)9)21-12-13-22-23(27-29(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+/m0/s1.
What are the key properties of [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane?
[(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane has a molecular weight of 452.83 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 139666035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).