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

C15H28O7 — CID 172513857

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

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

3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol (PubChem CID 172513857) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
PubChem CID172513857
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
SMILESC=CCOCC(CO)OC(COCC=C)COCC(O)CO
InChIInChI=1S/C15H28O7/c1-3-5-19-10-14(8-17)22-15(11-20-6-4-2)12-21-9-13(18)7-16/h3-4,13-18H,1-2,5-12H2
InChIKeyYRZNGKBYHTVKNR-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
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
CID 6455521
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol (CID 172513857) is 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol is C=CCOCC(CO)OC(COCC=C)COCC(O)CO.
What is the InChIKey of 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol?
The InChIKey is YRZNGKBYHTVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-3-5-19-10-14(8-17)22-15(11-20-6-4-2)12-21-9-13(18)7-16/h3-4,13-18H,1-2,5-12H2.
What are the key properties of 3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol?
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-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-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol is sourced from PubChem (CID 172513857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).