(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol

C22H50O4Si2 — CID 153425823

IUPAC(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol
SMILESCC[Si](CC)(CC)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](CC)(CC)CC
InChIInChI=1S/C22H50O4Si2/c1-7-27(8-2,9-3)17-13-15-25-21(19-23)22(20-24)26-16-14-18-28(10-4,11-5)12-6/h21-24H,7-20H2,1-6H3/t21-,22+
InChIKeyPBJLDIJHECTYJU-SZPZYZBQSA-N
MW434.81 g/mol
LogP5.54
Rot. Bonds19

About (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol

(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol (PubChem CID 153425823) has the molecular formula C22H50O4Si2 and a molecular weight of 434.81 g/mol. Its IUPAC name is (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol.

Molecular Properties

Compound Name(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol
PubChem CID153425823
Molecular FormulaC22H50O4Si2
Molecular Weight434.81 g/mol
Exact Mass434.32
IUPAC Name(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol
SMILESCC[Si](CC)(CC)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](CC)(CC)CC
InChIInChI=1S/C22H50O4Si2/c1-7-27(8-2,9-3)17-13-15-25-21(19-23)22(20-24)26-16-14-18-28(10-4,11-5)12-6/h21-24H,7-20H2,1-6H3/t21-,22+
InChIKeyPBJLDIJHECTYJU-SZPZYZBQSA-N
XLogP5.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol
CID 153425778
2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol
CID 159017030
(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
CID 153425788
(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol
CID 153425799
(2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
CID 153425807
(2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425811
2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
CID 153425789
triethyl(3-triethylsilyloxypropyl)silane
CID 14419245
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
triethyl(7-triethylsilylheptyl)silane
CID 174191086
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
CID 89361910
CID 89361910

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol?
The IUPAC name of (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol (CID 153425823) is (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol.
What is the SMILES notation for (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol?
The canonical SMILES for (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol is CC[Si](CC)(CC)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](CC)(CC)CC.
What is the InChIKey of (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol?
The InChIKey is PBJLDIJHECTYJU-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H50O4Si2/c1-7-27(8-2,9-3)17-13-15-25-21(19-23)22(20-24)26-16-14-18-28(10-4,11-5)12-6/h21-24H,7-20H2,1-6H3/t21-,22+.
What are the key properties of (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol?
(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol has a molecular weight of 434.81 g/mol, XLogP of 5.54, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol is sourced from PubChem (CID 153425823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).