1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol

C12H22O5 — CID 10562363

IUPAC1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCC(O)COCC=C
InChIInChI=1S/C12H22O5/c1-3-5-15-7-11(13)9-17-10-12(14)8-16-6-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyOONCTYTYTNELHV-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.13
Rot. Bonds12

About 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol

1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol (PubChem CID 10562363) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol
PubChem CID10562363
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCC(O)COCC=C
InChIInChI=1S/C12H22O5/c1-3-5-15-7-11(13)9-17-10-12(14)8-16-6-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyOONCTYTYTNELHV-UHFFFAOYSA-N
XLogP0.13
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol (CID 10562363) is 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COCC(O)COCC=C.
What is the InChIKey of 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol?
The InChIKey is OONCTYTYTNELHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-3-5-15-7-11(13)9-17-10-12(14)8-16-6-4-2/h3-4,11-14H,1-2,5-10H2.
What are the key properties of 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol?
1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol has a molecular weight of 246.30 g/mol, XLogP of 0.13, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 10562363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).