3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol

C15H28O7 — CID 88980935

IUPAC3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
SMILESC=CCOCC(O)COCC(COCC=C)OCC(O)CO
InChIInChI=1S/C15H28O7/c1-3-5-19-8-14(18)9-21-12-15(11-20-6-4-2)22-10-13(17)7-16/h3-4,13-18H,1-2,5-12H2
InChIKeyGJNOATPNCMYYRR-UHFFFAOYSA-N
MW320.38 g/mol
LogP-0.49
Rot. Bonds16

About 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol

3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol (PubChem CID 88980935) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
PubChem CID88980935
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
SMILESC=CCOCC(O)COCC(COCC=C)OCC(O)CO
InChIInChI=1S/C15H28O7/c1-3-5-19-8-14(18)9-21-12-15(11-20-6-4-2)22-10-13(17)7-16/h3-4,13-18H,1-2,5-12H2
InChIKeyGJNOATPNCMYYRR-UHFFFAOYSA-N
XLogP-0.49
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
CID 172513857
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
CID 57044013
3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol
CID 122548024
1-but-3-enoxybutan-2-ol;tris(3-[2-but-3-enoxy-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol);tetrakis(1-(3-but-3-enoxy-2-hydroxypropoxy)butan-2-ol)
CID 160690729
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
2-[2-(2,3-dihydroxypropoxy)-3-[1-(3-methylbutoxy)-3-prop-2-enoxypropan-2-yl]oxypropoxy]ethylphosphonic acid
CID 162088918

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol (CID 88980935) is 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol is C=CCOCC(O)COCC(COCC=C)OCC(O)CO.
What is the InChIKey of 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol?
The InChIKey is GJNOATPNCMYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-3-5-19-8-14(18)9-21-12-15(11-20-6-4-2)22-10-13(17)7-16/h3-4,13-18H,1-2,5-12H2.
What are the key properties of 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol?
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol has a molecular weight of 320.38 g/mol, XLogP of -0.49, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol is sourced from PubChem (CID 88980935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).