(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol

C20H50O6Si4 — CID 153425788

IUPAC(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
SMILESC[Si](C)(C)O[Si](C)(C)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C20H50O6Si4/c1-27(2,3)25-29(7,8)15-11-13-23-19(17-21)20(18-22)24-14-12-16-30(9,10)26-28(4,5)6/h19-22H,11-18H2,1-10H3/t19-,20+
InChIKeyLDNQZUBLRXYYME-BGYRXZFFSA-N
MW498.96 g/mol
LogP4.63
Rot. Bonds17

About (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol

(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol (PubChem CID 153425788) has the molecular formula C20H50O6Si4 and a molecular weight of 498.96 g/mol. Its IUPAC name is (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol.

Molecular Properties

Compound Name(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
PubChem CID153425788
Molecular FormulaC20H50O6Si4
Molecular Weight498.96 g/mol
Exact Mass498.27
IUPAC Name(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
SMILESC[Si](C)(C)O[Si](C)(C)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C20H50O6Si4/c1-27(2,3)25-29(7,8)15-11-13-23-19(17-21)20(18-22)24-14-12-16-30(9,10)26-28(4,5)6/h19-22H,11-18H2,1-10H3/t19-,20+
InChIKeyLDNQZUBLRXYYME-BGYRXZFFSA-N
XLogP4.63
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.96
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(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
2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425775
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
(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
(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol
CID 153425823
2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol
CID 153425816
2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethane-1,1-diol
CID 163940247
1-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol
CID 58711087
1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]-2-methylprop-2-en-1-ol
CID 20705477
3-(fluoromethoxy)propyl-dimethyl-trimethylsilyloxysilane
CID 58238476

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol?
The IUPAC name of (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol (CID 153425788) is (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol.
What is the SMILES notation for (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol?
The canonical SMILES for (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol is C[Si](C)(C)O[Si](C)(C)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol?
The InChIKey is LDNQZUBLRXYYME-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H50O6Si4/c1-27(2,3)25-29(7,8)15-11-13-23-19(17-21)20(18-22)24-14-12-16-30(9,10)26-28(4,5)6/h19-22H,11-18H2,1-10H3/t19-,20+.
What are the key properties of (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol?
(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol has a molecular weight of 498.96 g/mol, XLogP of 4.63, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol is sourced from PubChem (CID 153425788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).