3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol

C17H38O3Si2 — CID 87615596

IUPAC3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol
SMILESCC[Si](C=C(OCC(O)CO)[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-7-21(8-2,9-3)15-17(20-14-16(19)13-18)22(10-4,11-5)12-6/h15-16,18-19H,7-14H2,1-6H3
InChIKeyJGBVLQMRJSYRLP-UHFFFAOYSA-N
MW346.66 g/mol
LogP4.34
Rot. Bonds12

About 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol

3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol (PubChem CID 87615596) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol
PubChem CID87615596
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol
SMILESCC[Si](C=C(OCC(O)CO)[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-7-21(8-2,9-3)15-17(20-14-16(19)13-18)22(10-4,11-5)12-6/h15-16,18-19H,7-14H2,1-6H3
InChIKeyJGBVLQMRJSYRLP-UHFFFAOYSA-N
XLogP4.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol?
The IUPAC name of 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol (CID 87615596) is 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol is CC[Si](C=C(OCC(O)CO)[Si](CC)(CC)CC)(CC)CC.
What is the InChIKey of 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol?
The InChIKey is JGBVLQMRJSYRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-7-21(8-2,9-3)15-17(20-14-16(19)13-18)22(10-4,11-5)12-6/h15-16,18-19H,7-14H2,1-6H3.
What are the key properties of 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol?
3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol has a molecular weight of 346.66 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-bis(triethylsilyl)ethenoxy]propane-1,2-diol is sourced from PubChem (CID 87615596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).