1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol

C6H14O5Si — CID 21245489

IUPAC1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol
SMILESCCC(O)O[Si](=O)OC(O)CC
InChIInChI=1S/C6H14O5Si/c1-3-5(7)10-12(9)11-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyZEBZNSISYMPALX-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.11
Rot. Bonds6

About 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol

1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol (PubChem CID 21245489) has the molecular formula C6H14O5Si and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol
PubChem CID21245489
Molecular FormulaC6H14O5Si
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol
SMILESCCC(O)O[Si](=O)OC(O)CC
InChIInChI=1S/C6H14O5Si/c1-3-5(7)10-12(9)11-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyZEBZNSISYMPALX-UHFFFAOYSA-N
XLogP-0.11
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxypropylperoxy n-propyl alcohol
CID 129657686
Tetraethoxysilane hydroxide
CID 129772620
1-(Trioxidanyl)butan-1-ol
CID 13099713
Butane-1,1-diol;propane-1,1-diol
CID 19046618
Butane-1,1-diol;methanediol
CID 19433394
Methanediol;propane-1,1-diol
CID 19433398
1-[Hydroxy(oxo)silyl]oxybutan-1-ol
CID 20285656
Ethanol;propane-1,1-diol
CID 20431213
Butane-1,1-diol;ethane-1,1-diol
CID 21187125
1-[1-Hydroxyethoxy(oxo)silyl]oxyethanol
CID 21245488
Ethane-1,2-diol;propane-1,1-diol
CID 22179149
Propane-1,1-diol;propane-1,3-diol
CID 23174644

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol?
The IUPAC name of 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol (CID 21245489) is 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol.
What is the SMILES notation for 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol?
The canonical SMILES for 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol is CCC(O)O[Si](=O)OC(O)CC.
What is the InChIKey of 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol?
The InChIKey is ZEBZNSISYMPALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5Si/c1-3-5(7)10-12(9)11-6(8)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol?
1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol has a molecular weight of 194.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxypropoxy(oxo)silyl]oxypropan-1-ol is sourced from PubChem (CID 21245489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).