3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol

C19H46O6Si3 — CID 58129909

IUPAC3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol
SMILESCCC(OCC(O)C(O)[Si](C)(C)C)C(OCC(O)C(O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H46O6Si3/c1-11-16(24-12-14(20)17(22)26(2,3)4)19(28(8,9)10)25-13-15(21)18(23)27(5,6)7/h14-23H,11-13H2,1-10H3
InChIKeyIYXKAFVRQSQDGQ-UHFFFAOYSA-N
MW454.83 g/mol
LogP2.24
Rot. Bonds13

About 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol

3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol (PubChem CID 58129909) has the molecular formula C19H46O6Si3 and a molecular weight of 454.83 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol
PubChem CID58129909
Molecular FormulaC19H46O6Si3
Molecular Weight454.83 g/mol
Exact Mass454.26
IUPAC Name3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol
SMILESCCC(OCC(O)C(O)[Si](C)(C)C)C(OCC(O)C(O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H46O6Si3/c1-11-16(24-12-14(20)17(22)26(2,3)4)19(28(8,9)10)25-13-15(21)18(23)27(5,6)7/h14-23H,11-13H2,1-10H3
InChIKeyIYXKAFVRQSQDGQ-UHFFFAOYSA-N
XLogP2.24
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol?
The IUPAC name of 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol (CID 58129909) is 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol.
What is the SMILES notation for 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol?
The canonical SMILES for 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol is CCC(OCC(O)C(O)[Si](C)(C)C)C(OCC(O)C(O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol?
The InChIKey is IYXKAFVRQSQDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46O6Si3/c1-11-16(24-12-14(20)17(22)26(2,3)4)19(28(8,9)10)25-13-15(21)18(23)27(5,6)7/h14-23H,11-13H2,1-10H3.
What are the key properties of 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol?
3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol has a molecular weight of 454.83 g/mol, XLogP of 2.24, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol is sourced from PubChem (CID 58129909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).