[(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol

C24H50O3Si2 — CID 15460075

IUPAC[(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol
SMILESCCCCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CO)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O3Si2/c1-14-15-16-19-18(2)20(26-28(10,11)22(3,4)5)24(9,17-25)21(19)27-29(12,13)23(6,7)8/h20-21,25H,14-17H2,1-13H3/t20-,21+,24+/m0/s1
InChIKeyUBUQKWGGPKFVSC-YZUZCNPQSA-N
MW442.83 g/mol
LogP7.29
Rot. Bonds8

About [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol

[(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol (PubChem CID 15460075) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol
PubChem CID15460075
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Name[(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol
SMILESCCCCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CO)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O3Si2/c1-14-15-16-19-18(2)20(26-28(10,11)22(3,4)5)24(9,17-25)21(19)27-29(12,13)23(6,7)8/h20-21,25H,14-17H2,1-13H3/t20-,21+,24+/m0/s1
InChIKeyUBUQKWGGPKFVSC-YZUZCNPQSA-N
XLogP7.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol?
The IUPAC name of [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol (CID 15460075) is [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol?
The canonical SMILES for [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol is CCCCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CO)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol?
The InChIKey is UBUQKWGGPKFVSC-YZUZCNPQSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-14-15-16-19-18(2)20(26-28(10,11)22(3,4)5)24(9,17-25)21(19)27-29(12,13)23(6,7)8/h20-21,25H,14-17H2,1-13H3/t20-,21+,24+/m0/s1.
What are the key properties of [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol?
[(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol has a molecular weight of 442.83 g/mol, XLogP of 7.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 15460075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).