(3E,5E)-hepta-1,3,5-triene-2,3,6-triol

C7H10O3 — CID 89317612

IUPAC(3E,5E)-hepta-1,3,5-triene-2,3,6-triol
SMILESC=C(O)/C(O)=C\C=C(/C)O
InChIInChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4,8-10H,2H2,1H3/b5-3+,7-4+
InChIKeyUXXQQGZXGSPGQE-HJIKTHEYSA-N
MW142.15 g/mol
LogP1.96
Rot. Bonds2

About (3E,5E)-hepta-1,3,5-triene-2,3,6-triol

(3E,5E)-hepta-1,3,5-triene-2,3,6-triol (PubChem CID 89317612) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3E,5E)-hepta-1,3,5-triene-2,3,6-triol.

Molecular Properties

Compound Name(3E,5E)-hepta-1,3,5-triene-2,3,6-triol
PubChem CID89317612
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3E,5E)-hepta-1,3,5-triene-2,3,6-triol
SMILESC=C(O)/C(O)=C\C=C(/C)O
InChIInChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4,8-10H,2H2,1H3/b5-3+,7-4+
InChIKeyUXXQQGZXGSPGQE-HJIKTHEYSA-N
XLogP1.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5E)-hepta-1,3,5-triene-2,3,6-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methylhexa-2,4-dien-2-ol
CID 173388590
(3E)-penta-1,3-diene-1,1,4-triol
CID 167098733
ethane;(3E)-5-methylhexa-1,3,5-triene-2,3-diol
CID 143169625
(3E,5Z)-hepta-1,3,5-triene-2,3,5,6-tetrol
CID 90148022
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol
CID 130246527
(3E)-penta-1,3-diene-2,4-diol
CID 21340298
2-(3-hydroxybut-2-enylidene)propanedinitrile
CID 71439504
(2E,4E)-5-hydroxy-2-methylhexa-2,4-dienenitrile
CID 167184746
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
CID 144646634
(3E)-3-amino-6-methylhepta-1,3,5-trien-2-ol
CID 170407811

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-hepta-1,3,5-triene-2,3,6-triol?
The IUPAC name of (3E,5E)-hepta-1,3,5-triene-2,3,6-triol (CID 89317612) is (3E,5E)-hepta-1,3,5-triene-2,3,6-triol.
What is the SMILES notation for (3E,5E)-hepta-1,3,5-triene-2,3,6-triol?
The canonical SMILES for (3E,5E)-hepta-1,3,5-triene-2,3,6-triol is C=C(O)/C(O)=C\C=C(/C)O.
What is the InChIKey of (3E,5E)-hepta-1,3,5-triene-2,3,6-triol?
The InChIKey is UXXQQGZXGSPGQE-HJIKTHEYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4,8-10H,2H2,1H3/b5-3+,7-4+.
What are the key properties of (3E,5E)-hepta-1,3,5-triene-2,3,6-triol?
(3E,5E)-hepta-1,3,5-triene-2,3,6-triol has a molecular weight of 142.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-hepta-1,3,5-triene-2,3,6-triol is sourced from PubChem (CID 89317612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).