(2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol

C15H24O5 — CID 87279269

IUPAC(2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol
SMILESCCC/C(O)=C\C(O)=C/COCC(/C=C\CO)=C/CO
InChIInChI=1S/C15H24O5/c1-2-4-14(18)11-15(19)7-10-20-12-13(6-9-17)5-3-8-16/h3,5-7,11,16-19H,2,4,8-10,12H2,1H3/b5-3-,13-6+,14-11+,15-7+
InChIKeyOSVUBBMNBQORDU-DARYAOEJSA-N
MW284.35 g/mol
LogP2.15
Rot. Bonds10

About (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol

(2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol (PubChem CID 87279269) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol.

Molecular Properties

Compound Name(2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol
PubChem CID87279269
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol
SMILESCCC/C(O)=C\C(O)=C/COCC(/C=C\CO)=C/CO
InChIInChI=1S/C15H24O5/c1-2-4-14(18)11-15(19)7-10-20-12-13(6-9-17)5-3-8-16/h3,5-7,11,16-19H,2,4,8-10,12H2,1H3/b5-3-,13-6+,14-11+,15-7+
InChIKeyOSVUBBMNBQORDU-DARYAOEJSA-N
XLogP2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol?
The IUPAC name of (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol (CID 87279269) is (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol.
What is the SMILES notation for (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol?
The canonical SMILES for (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol is CCC/C(O)=C\C(O)=C/COCC(/C=C\CO)=C/CO.
What is the InChIKey of (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol?
The InChIKey is OSVUBBMNBQORDU-DARYAOEJSA-N. The full InChI is InChI=1S/C15H24O5/c1-2-4-14(18)11-15(19)7-10-20-12-13(6-9-17)5-3-8-16/h3,5-7,11,16-19H,2,4,8-10,12H2,1H3/b5-3-,13-6+,14-11+,15-7+.
What are the key properties of (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol?
(2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol has a molecular weight of 284.35 g/mol, XLogP of 2.15, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-[(Z,2E)-5-hydroxy-2-(2-hydroxyethylidene)pent-3-enoxy]octa-2,4-diene-3,5-diol is sourced from PubChem (CID 87279269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).