ethanol;perchloric acid;propane-1,2,3-triol

C5H15ClO8 — CID 160891587

IUPACethanol;perchloric acid;propane-1,2,3-triol
SMILESCCO.OCC(O)CO.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C3H8O3.C2H6O.ClHO4/c4-1-3(6)2-5;1-2-3;2-1(3,4)5/h3-6H,1-2H2;3H,2H2,1H3;(H,2,3,4,5)
InChIKeySOIMODSWPCPXOQ-UHFFFAOYSA-N
MW238.62 g/mol
LogP-5.79
Rot. Bonds2

About ethanol;perchloric acid;propane-1,2,3-triol

ethanol;perchloric acid;propane-1,2,3-triol (PubChem CID 160891587) has the molecular formula C5H15ClO8 and a molecular weight of 238.62 g/mol. Its IUPAC name is ethanol;perchloric acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameethanol;perchloric acid;propane-1,2,3-triol
PubChem CID160891587
Molecular FormulaC5H15ClO8
Molecular Weight238.62 g/mol
Exact Mass238.05
IUPAC Nameethanol;perchloric acid;propane-1,2,3-triol
SMILESCCO.OCC(O)CO.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C3H8O3.C2H6O.ClHO4/c4-1-3(6)2-5;1-2-3;2-1(3,4)5/h3-6H,1-2H2;3H,2H2,1H3;(H,2,3,4,5)
InChIKeySOIMODSWPCPXOQ-UHFFFAOYSA-N
XLogP-5.79
TPSA170.33 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 5-5.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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tris(propane-1,1,1-triol);bis(propane-1,2,3-triol)
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Frequently Asked Questions

What is the IUPAC name of ethanol;perchloric acid;propane-1,2,3-triol?
The IUPAC name of ethanol;perchloric acid;propane-1,2,3-triol (CID 160891587) is ethanol;perchloric acid;propane-1,2,3-triol.
What is the SMILES notation for ethanol;perchloric acid;propane-1,2,3-triol?
The canonical SMILES for ethanol;perchloric acid;propane-1,2,3-triol is CCO.OCC(O)CO.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of ethanol;perchloric acid;propane-1,2,3-triol?
The InChIKey is SOIMODSWPCPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C2H6O.ClHO4/c4-1-3(6)2-5;1-2-3;2-1(3,4)5/h3-6H,1-2H2;3H,2H2,1H3;(H,2,3,4,5).
What are the key properties of ethanol;perchloric acid;propane-1,2,3-triol?
ethanol;perchloric acid;propane-1,2,3-triol has a molecular weight of 238.62 g/mol, XLogP of -5.79, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;perchloric acid;propane-1,2,3-triol is sourced from PubChem (CID 160891587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).