3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol

C24H50O4Si2 — CID 54462187

IUPAC3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC=C[C@H]1[C@@H](CCCO)[C@@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si2/c1-23(2,3)29(7,8)27-16-12-14-21-20(13-11-15-25)19(18-26)17-22(21)28-30(9,10)24(4,5)6/h12,14,19-22,25-26H,11,13,15-18H2,1-10H3/t19-,20+,21+,22-/m1/s1
InChIKeyXCJHLZPZJBOONB-CLAROIROSA-N
MW458.83 g/mol
LogP5.97
Rot. Bonds10

About 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol

3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol (PubChem CID 54462187) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol
PubChem CID54462187
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Name3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC=C[C@H]1[C@@H](CCCO)[C@@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si2/c1-23(2,3)29(7,8)27-16-12-14-21-20(13-11-15-25)19(18-26)17-22(21)28-30(9,10)24(4,5)6/h12,14,19-22,25-26H,11,13,15-18H2,1-10H3/t19-,20+,21+,22-/m1/s1
InChIKeyXCJHLZPZJBOONB-CLAROIROSA-N
XLogP5.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol?
The IUPAC name of 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol (CID 54462187) is 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol.
What is the SMILES notation for 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol?
The canonical SMILES for 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol is CC(C)(C)[Si](C)(C)OCC=C[C@H]1[C@@H](CCCO)[C@@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol?
The InChIKey is XCJHLZPZJBOONB-CLAROIROSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-23(2,3)29(7,8)27-16-12-14-21-20(13-11-15-25)19(18-26)17-22(21)28-30(9,10)24(4,5)6/h12,14,19-22,25-26H,11,13,15-18H2,1-10H3/t19-,20+,21+,22-/m1/s1.
What are the key properties of 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol?
3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol has a molecular weight of 458.83 g/mol, XLogP of 5.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol is sourced from PubChem (CID 54462187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).