ethane-1,2-diol;ethoxy-hydroxy-oxosilane

C4H12O5Si — CID 87087454

IUPACethane-1,2-diol;ethoxy-hydroxy-oxosilane
SMILESCCO[Si](=O)O.OCCO
InChIInChI=1S/C2H6O3Si.C2H6O2/c1-2-5-6(3)4;3-1-2-4/h3H,2H2,1H3;3-4H,1-2H2
InChIKeyAYAHYDXULHQOGI-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.60
Rot. Bonds3

About ethane-1,2-diol;ethoxy-hydroxy-oxosilane

ethane-1,2-diol;ethoxy-hydroxy-oxosilane (PubChem CID 87087454) has the molecular formula C4H12O5Si and a molecular weight of 168.22 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxy-hydroxy-oxosilane.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxy-hydroxy-oxosilane
PubChem CID87087454
Molecular FormulaC4H12O5Si
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Nameethane-1,2-diol;ethoxy-hydroxy-oxosilane
SMILESCCO[Si](=O)O.OCCO
InChIInChI=1S/C2H6O3Si.C2H6O2/c1-2-5-6(3)4;3-1-2-4/h3H,2H2,1H3;3-4H,1-2H2
InChIKeyAYAHYDXULHQOGI-UHFFFAOYSA-N
XLogP-1.60
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethoxyethane;ethoxy-hydroxy-oxosilane
CID 88710041
ethanol;ethoxy-hydroxy-oxosilane
CID 87450344
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
[amino(oxo)silyl]oxyethane
CID 175833657
butoxy-hydroxy-oxosilane;urea
CID 88805411
lithium ethoxy-oxido-oxosilane
CID 23678558
diethyl carbonate;ethane-1,2-diol
CID 19764063
ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
ethane-1,2-diol;1-ethoxybutane
CID 23504299
N,N-dichloropropanamide;ethane-1,2-diol
CID 87435163
CID 59245328
CID 59245328

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxy-hydroxy-oxosilane?
The IUPAC name of ethane-1,2-diol;ethoxy-hydroxy-oxosilane (CID 87087454) is ethane-1,2-diol;ethoxy-hydroxy-oxosilane.
What is the SMILES notation for ethane-1,2-diol;ethoxy-hydroxy-oxosilane?
The canonical SMILES for ethane-1,2-diol;ethoxy-hydroxy-oxosilane is CCO[Si](=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxy-hydroxy-oxosilane?
The InChIKey is AYAHYDXULHQOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3Si.C2H6O2/c1-2-5-6(3)4;3-1-2-4/h3H,2H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxy-hydroxy-oxosilane?
ethane-1,2-diol;ethoxy-hydroxy-oxosilane has a molecular weight of 168.22 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxy-hydroxy-oxosilane is sourced from PubChem (CID 87087454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).