(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol

C24H52O5Si2 — CID 134830595

IUPAC(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H52O5Si2/c1-23(2,3)30(7,8)27-17-11-13-19(25)21-15-16-22(29-21)20(26)14-12-18-28-31(9,10)24(4,5)6/h19-22,25-26H,11-18H2,1-10H3/t19-,20+,21-,22+
InChIKeyUWXZUYCIZDVMIP-COPRSSIGSA-N
MW476.85 g/mol
LogP5.86
Rot. Bonds12

About (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol

(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol (PubChem CID 134830595) has the molecular formula C24H52O5Si2 and a molecular weight of 476.85 g/mol. Its IUPAC name is (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
PubChem CID134830595
Molecular FormulaC24H52O5Si2
Molecular Weight476.85 g/mol
Exact Mass476.34
IUPAC Name(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H52O5Si2/c1-23(2,3)30(7,8)27-17-11-13-19(25)21-15-16-22(29-21)20(26)14-12-18-28-31(9,10)24(4,5)6/h19-22,25-26H,11-18H2,1-10H3/t19-,20+,21-,22+
InChIKeyUWXZUYCIZDVMIP-COPRSSIGSA-N
XLogP5.86
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.85
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
The IUPAC name of (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol (CID 134830595) is (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol.
What is the SMILES notation for (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
The canonical SMILES for (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol is CC(C)(C)[Si](C)(C)OCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
The InChIKey is UWXZUYCIZDVMIP-COPRSSIGSA-N. The full InChI is InChI=1S/C24H52O5Si2/c1-23(2,3)30(7,8)27-17-11-13-19(25)21-15-16-22(29-21)20(26)14-12-18-28-31(9,10)24(4,5)6/h19-22,25-26H,11-18H2,1-10H3/t19-,20+,21-,22+.
What are the key properties of (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol has a molecular weight of 476.85 g/mol, XLogP of 5.86, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol is sourced from PubChem (CID 134830595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).