(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol

C21H46O5Si2 — CID 12019916

IUPAC(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C21H46O5Si2/c1-12-18(26-28(10,11)21(5,6)7)19(17(23)16-22)24-14-13-15-25-27(8,9)20(2,3)4/h12,17-19,22-23H,1,13-16H2,2-11H3/t17-,18-,19+/m1/s1
InChIKeyOKYRHSLOBJLIKP-QRVBRYPASA-N
MW434.77 g/mol
LogP4.71
Rot. Bonds12

About (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol

(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol (PubChem CID 12019916) has the molecular formula C21H46O5Si2 and a molecular weight of 434.77 g/mol. Its IUPAC name is (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
PubChem CID12019916
Molecular FormulaC21H46O5Si2
Molecular Weight434.77 g/mol
Exact Mass434.29
IUPAC Name(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C21H46O5Si2/c1-12-18(26-28(10,11)21(5,6)7)19(17(23)16-22)24-14-13-15-25-27(8,9)20(2,3)4/h12,17-19,22-23H,1,13-16H2,2-11H3/t17-,18-,19+/m1/s1
InChIKeyOKYRHSLOBJLIKP-QRVBRYPASA-N
XLogP4.71
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.77
LogP ≤ 54.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol?
The IUPAC name of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol (CID 12019916) is (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol.
What is the SMILES notation for (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol?
The canonical SMILES for (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol?
The InChIKey is OKYRHSLOBJLIKP-QRVBRYPASA-N. The full InChI is InChI=1S/C21H46O5Si2/c1-12-18(26-28(10,11)21(5,6)7)19(17(23)16-22)24-14-13-15-25-27(8,9)20(2,3)4/h12,17-19,22-23H,1,13-16H2,2-11H3/t17-,18-,19+/m1/s1.
What are the key properties of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol?
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol has a molecular weight of 434.77 g/mol, XLogP of 4.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol is sourced from PubChem (CID 12019916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).