[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol

C23H48O3Si2 — CID 15343617

IUPAC[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
SMILESCC/C=C\C[C@@H]1[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-12-13-14-15-18-19(17-24)21(26-28(10,11)23(5,6)7)16-20(18)25-27(8,9)22(2,3)4/h13-14,18-21,24H,12,15-17H2,1-11H3/b14-13-/t18-,19+,20-,21+/m1/s1
InChIKeySLSXDIMCHHZCJA-SFOQPGNDSA-N
MW428.81 g/mol
LogP6.75
Rot. Bonds8

About [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol

[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol (PubChem CID 15343617) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
PubChem CID15343617
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Name[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
SMILESCC/C=C\C[C@@H]1[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-12-13-14-15-18-19(17-24)21(26-28(10,11)23(5,6)7)16-20(18)25-27(8,9)22(2,3)4/h13-14,18-21,24H,12,15-17H2,1-11H3/b14-13-/t18-,19+,20-,21+/m1/s1
InChIKeySLSXDIMCHHZCJA-SFOQPGNDSA-N
XLogP6.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 56.75
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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Related Compounds

[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 90814847
[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium
CID 163897108
(1S,2S,3aR,4R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 11034272
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855614
(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855644
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855665
(3R,4R,5R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(7-hydroxyheptyl)cyclopentane-1,3-diol
CID 134870373
2-[(1S,2R,5R)-2-ethenyl-5-triethylsilyloxycyclopentyl]ethanol
CID 134898062
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134973023
(E,3S)-1-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylcyclopentyl]oct-1-en-3-ol
CID 134973152
[(1S,3R,3aR,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7a-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-inden-3a-yl]methanol
CID 154707123

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
The IUPAC name of [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol (CID 15343617) is [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol is CC/C=C\C[C@@H]1[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
The InChIKey is SLSXDIMCHHZCJA-SFOQPGNDSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-12-13-14-15-18-19(17-24)21(26-28(10,11)23(5,6)7)16-20(18)25-27(8,9)22(2,3)4/h13-14,18-21,24H,12,15-17H2,1-11H3/b14-13-/t18-,19+,20-,21+/m1/s1.
What are the key properties of [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol has a molecular weight of 428.81 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol is sourced from PubChem (CID 15343617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).