3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)

C8H19O7Si — CID 78061102

IUPAC—
SMILESCOC[Si](OCC(O)CO)OCC(O)CO
InChIInChI=1S/C8H19O7Si/c1-13-6-16(14-4-7(11)2-9)15-5-8(12)3-10/h7-12H,2-6H2,1H3
InChIKeyXMPYVTQNWYIZDW-UHFFFAOYSA-N
MW255.32 g/mol
LogP-2.60
Rot. Bonds10

About 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)

3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol) (PubChem CID 78061102) has the molecular formula C8H19O7Si and a molecular weight of 255.32 g/mol.

Molecular Properties

Compound Name3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)
PubChem CID78061102
Molecular FormulaC8H19O7Si
Molecular Weight255.32 g/mol
Exact Mass255.09
IUPAC Name—
SMILESCOC[Si](OCC(O)CO)OCC(O)CO
InChIInChI=1S/C8H19O7Si/c1-13-6-16(14-4-7(11)2-9)15-5-8(12)3-10/h7-12H,2-6H2,1H3
InChIKeyXMPYVTQNWYIZDW-UHFFFAOYSA-N
XLogP-2.60
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)?
The IUPAC name of 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol) (CID 78061102) is not available.
What is the SMILES notation for 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)?
The canonical SMILES for 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol) is COC[Si](OCC(O)CO)OCC(O)CO.
What is the InChIKey of 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)?
The InChIKey is XMPYVTQNWYIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O7Si/c1-13-6-16(14-4-7(11)2-9)15-5-8(12)3-10/h7-12H,2-6H2,1H3.
What are the key properties of 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol)?
3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol) has a molecular weight of 255.32 g/mol, XLogP of -2.60, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-{[(Methoxymethyl)silanediyl]bis(oxy)}di(propane-1,2-diol) is sourced from PubChem (CID 78061102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).