ethene;propane;propane-1,2,3-triol

C8H20O3 — CID 87089727

IUPACethene;propane;propane-1,2,3-triol
SMILESC=C.CCC.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H8.C2H4/c4-1-3(6)2-5;1-3-2;1-2/h3-6H,1-2H2;3H2,1-2H3;1-2H2
InChIKeyPBQZOOIRXYPLEE-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.55
Rot. Bonds2

About ethene;propane;propane-1,2,3-triol

ethene;propane;propane-1,2,3-triol (PubChem CID 87089727) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is ethene;propane;propane-1,2,3-triol.

Molecular Properties

Compound Nameethene;propane;propane-1,2,3-triol
PubChem CID87089727
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Nameethene;propane;propane-1,2,3-triol
SMILESC=C.CCC.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H8.C2H4/c4-1-3(6)2-5;1-3-2;1-2/h3-6H,1-2H2;3H2,1-2H3;1-2H2
InChIKeyPBQZOOIRXYPLEE-UHFFFAOYSA-N
XLogP0.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methanethiol;propane-1,2,3-triol
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gold;propane-1,2,3-triol
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propane-1,2,3-triol;tetrahydrochloride
CID 163704230
(propane-1,2,3-triol);pentahydrochloride
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propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
ethanol;perchloric acid;propane-1,2,3-triol
CID 160891587
tris(propane-1,1,1-triol);bis(propane-1,2,3-triol)
CID 173016399
ethoxyethane;decakis(propane-1,2,3-triol)
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Frequently Asked Questions

What is the IUPAC name of ethene;propane;propane-1,2,3-triol?
The IUPAC name of ethene;propane;propane-1,2,3-triol (CID 87089727) is ethene;propane;propane-1,2,3-triol.
What is the SMILES notation for ethene;propane;propane-1,2,3-triol?
The canonical SMILES for ethene;propane;propane-1,2,3-triol is C=C.CCC.OCC(O)CO.
What is the InChIKey of ethene;propane;propane-1,2,3-triol?
The InChIKey is PBQZOOIRXYPLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H8.C2H4/c4-1-3(6)2-5;1-3-2;1-2/h3-6H,1-2H2;3H2,1-2H3;1-2H2.
What are the key properties of ethene;propane;propane-1,2,3-triol?
ethene;propane;propane-1,2,3-triol has a molecular weight of 164.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;propane;propane-1,2,3-triol is sourced from PubChem (CID 87089727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).