2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C22H46O6Si — CID 59502263

IUPAC2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C22H46O6Si/c1-4-5-6-7-8-9-10-11-12-13-15-29(2,3)16-14-27-22-21(26)20(25)19(24)18(17-23)28-22/h18-26H,4-17H2,1-3H3
InChIKeyMOKUZPLIPRQTMN-UHFFFAOYSA-N
MW434.69 g/mol
LogP3.43
Rot. Bonds16

About 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59502263) has the molecular formula C22H46O6Si and a molecular weight of 434.69 g/mol. Its IUPAC name is 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59502263
Molecular FormulaC22H46O6Si
Molecular Weight434.69 g/mol
Exact Mass434.31
IUPAC Name2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C22H46O6Si/c1-4-5-6-7-8-9-10-11-12-13-15-29(2,3)16-14-27-22-21(26)20(25)19(24)18(17-23)28-22/h18-26H,4-17H2,1-3H3
InChIKeyMOKUZPLIPRQTMN-UHFFFAOYSA-N
XLogP3.43
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.69
LogP ≤ 53.43
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59502263) is 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MOKUZPLIPRQTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O6Si/c1-4-5-6-7-8-9-10-11-12-13-15-29(2,3)16-14-27-22-21(26)20(25)19(24)18(17-23)28-22/h18-26H,4-17H2,1-3H3.
What are the key properties of 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 434.69 g/mol, XLogP of 3.43, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dodecyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59502263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).