3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol

C13H20O3 — CID 6440320

IUPAC3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
SMILESCC/C=C/C=C/C=C/C=C/OCC(O)CO
InChIInChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14/h3-10,13-15H,2,11-12H2,1H3/b4-3+,6-5+,8-7+,10-9+
InChIKeyBYZCTZPRJUIUHG-BYFNFPHLSA-N
MW224.30 g/mol
LogP1.95
Rot. Bonds8

About 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol

3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol (PubChem CID 6440320) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
PubChem CID6440320
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
SMILESCC/C=C/C=C/C=C/C=C/OCC(O)CO
InChIInChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14/h3-10,13-15H,2,11-12H2,1H3/b4-3+,6-5+,8-7+,10-9+
InChIKeyBYZCTZPRJUIUHG-BYFNFPHLSA-N
XLogP1.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol?
The IUPAC name of 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol (CID 6440320) is 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol?
The canonical SMILES for 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol is CC/C=C/C=C/C=C/C=C/OCC(O)CO.
What is the InChIKey of 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol?
The InChIKey is BYZCTZPRJUIUHG-BYFNFPHLSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14/h3-10,13-15H,2,11-12H2,1H3/b4-3+,6-5+,8-7+,10-9+.
What are the key properties of 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol?
3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol has a molecular weight of 224.30 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol is sourced from PubChem (CID 6440320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).