3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol

C12H24O7 — CID 54120900

IUPAC3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
SMILESC=CCOCC(O)COCC(O)COCC(O)CO
InChIInChI=1S/C12H24O7/c1-2-3-17-6-11(15)7-19-9-12(16)8-18-5-10(14)4-13/h2,10-16H,1,3-9H2
InChIKeyNNPZKFPTAHQFTE-UHFFFAOYSA-N
MW280.32 g/mol
LogP-1.70
Rot. Bonds13

About 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol

3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol (PubChem CID 54120900) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
PubChem CID54120900
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
SMILESC=CCOCC(O)COCC(O)COCC(O)CO
InChIInChI=1S/C12H24O7/c1-2-3-17-6-11(15)7-19-9-12(16)8-18-5-10(14)4-13/h2,10-16H,1,3-9H2
InChIKeyNNPZKFPTAHQFTE-UHFFFAOYSA-N
XLogP-1.70
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol?
The IUPAC name of 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol (CID 54120900) is 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol is C=CCOCC(O)COCC(O)COCC(O)CO.
What is the InChIKey of 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol?
The InChIKey is NNPZKFPTAHQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7/c1-2-3-17-6-11(15)7-19-9-12(16)8-18-5-10(14)4-13/h2,10-16H,1,3-9H2.
What are the key properties of 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol?
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol has a molecular weight of 280.32 g/mol, XLogP of -1.70, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol is sourced from PubChem (CID 54120900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).