(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol

C6H10O4 — CID 140785203

IUPAC(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol
SMILESOC(O)/C=C/C=C/C(O)O
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-10H/b3-1+,4-2+
InChIKeyZUELDYKEUGYUOD-ZPUQHVIOSA-N
MW146.14 g/mol
LogP-1.28
Rot. Bonds3

About (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol

(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol (PubChem CID 140785203) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol
PubChem CID140785203
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol
SMILESOC(O)/C=C/C=C/C(O)O
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-10H/b3-1+,4-2+
InChIKeyZUELDYKEUGYUOD-ZPUQHVIOSA-N
XLogP-1.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

henicosa-2,4,6,8,10-pentaene-1,1-diol
CID 141316228
(Z)-4-hydroxypent-2-enal
CID 89185005
(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
CID 15755837
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
CID 170250028
(2E,4E,6S,7R)-6-hydroxy-7-methylnona-2,4,8-trienal
CID 10870472
(E)-hept-2-ene-1,1-diol
CID 87660901
3-phenylprop-2-ene-1,1-diol
CID 54432533
octa-3,5-dien-2-ol
CID 543636
4,6-dihydroxyhex-2-enal
CID 175147280
4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal
CID 174446542
(4E,6E)-nona-4,6,8-triene-2,3-diol
CID 15336475
4-(1-hydroxyethoxy)pent-2-enal
CID 123901188

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol?
The IUPAC name of (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol (CID 140785203) is (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol.
What is the SMILES notation for (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol?
The canonical SMILES for (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol is OC(O)/C=C/C=C/C(O)O.
What is the InChIKey of (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol?
The InChIKey is ZUELDYKEUGYUOD-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-10H/b3-1+,4-2+.
What are the key properties of (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol?
(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol has a molecular weight of 146.14 g/mol, XLogP of -1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol is sourced from PubChem (CID 140785203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).