2-propylsilyloxyethane-1,1,1-triol

C5H14O4Si — CID 154248338

IUPAC2-propylsilyloxyethane-1,1,1-triol
SMILESCCC[SiH2]OCC(O)(O)O
InChIInChI=1S/C5H14O4Si/c1-2-3-10-9-4-5(6,7)8/h6-8H,2-4,10H2,1H3
InChIKeyXKIOWJDYMCHXTR-UHFFFAOYSA-N
MW166.25 g/mol
LogP-1.45
Rot. Bonds5

About 2-propylsilyloxyethane-1,1,1-triol

2-propylsilyloxyethane-1,1,1-triol (PubChem CID 154248338) has the molecular formula C5H14O4Si and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-propylsilyloxyethane-1,1,1-triol.

Molecular Properties

Compound Name2-propylsilyloxyethane-1,1,1-triol
PubChem CID154248338
Molecular FormulaC5H14O4Si
Molecular Weight166.25 g/mol
Exact Mass166.07
IUPAC Name2-propylsilyloxyethane-1,1,1-triol
SMILESCCC[SiH2]OCC(O)(O)O
InChIInChI=1S/C5H14O4Si/c1-2-3-10-9-4-5(6,7)8/h6-8H,2-4,10H2,1H3
InChIKeyXKIOWJDYMCHXTR-UHFFFAOYSA-N
XLogP-1.45
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-1-en-2-yloxy(propyl)silane
CID 151988829
3-ethenylpent-4-enoxy(propyl)silane
CID 154095079
butane-1,1,1-triol;hydrochloride
CID 140976874
[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate
CID 154251448
CID 173279410
CID 173279410
triethyl propylsilyl silicate
CID 123262422
3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate
CID 173460021
2-[2-hydroxyethoxy(propylsilyloxy)methoxy]ethanol
CID 173145253
oxirane;propyl(silyloxy)silane
CID 173343940
ethoxy(hexyl)silane;hydrofluoride
CID 174883569
butane;propane-2,2-diol
CID 142587058
2-chloroethyl(ethoxymethoxy)silane;dihydrochloride
CID 173434038

Frequently Asked Questions

What is the IUPAC name of 2-propylsilyloxyethane-1,1,1-triol?
The IUPAC name of 2-propylsilyloxyethane-1,1,1-triol (CID 154248338) is 2-propylsilyloxyethane-1,1,1-triol.
What is the SMILES notation for 2-propylsilyloxyethane-1,1,1-triol?
The canonical SMILES for 2-propylsilyloxyethane-1,1,1-triol is CCC[SiH2]OCC(O)(O)O.
What is the InChIKey of 2-propylsilyloxyethane-1,1,1-triol?
The InChIKey is XKIOWJDYMCHXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O4Si/c1-2-3-10-9-4-5(6,7)8/h6-8H,2-4,10H2,1H3.
What are the key properties of 2-propylsilyloxyethane-1,1,1-triol?
2-propylsilyloxyethane-1,1,1-triol has a molecular weight of 166.25 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsilyloxyethane-1,1,1-triol is sourced from PubChem (CID 154248338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).