(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol

C8H12O2 — CID 88665396

IUPAC(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol
SMILESC/C=C(O)/C=C/C=C(/C)O
InChIInChI=1S/C8H12O2/c1-3-8(10)6-4-5-7(2)9/h3-6,9-10H,1-2H3/b6-4+,7-5-,8-3-
InChIKeyQTLGLMOKXYEJHP-IGVDJYRLSA-N
MW140.18 g/mol
LogP2.47
Rot. Bonds2

About (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol

(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol (PubChem CID 88665396) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol.

Molecular Properties

Compound Name(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol
PubChem CID88665396
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol
SMILESC/C=C(O)/C=C/C=C(/C)O
InChIInChI=1S/C8H12O2/c1-3-8(10)6-4-5-7(2)9/h3-6,9-10H,1-2H3/b6-4+,7-5-,8-3-
InChIKeyQTLGLMOKXYEJHP-IGVDJYRLSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
CID 142883344
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
5-methylhexa-2,4-dien-2-ol
CID 173388590
(3E)-penta-1,3-diene-1,1,4-triol
CID 167098733
(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol
CID 144731327
heptadeca-2,4,11,13,15-pentaene-3,13-diol
CID 171853113
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
(2E,4Z)-octa-2,4-dien-3-ol
CID 144538239
(2E,4Z,6Z)-2,6-difluoroocta-2,4,6-triene
CID 143576318
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671
N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide
CID 89354713

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol?
The IUPAC name of (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol (CID 88665396) is (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol.
What is the SMILES notation for (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol?
The canonical SMILES for (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol is C/C=C(O)/C=C/C=C(/C)O.
What is the InChIKey of (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol?
The InChIKey is QTLGLMOKXYEJHP-IGVDJYRLSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(10)6-4-5-7(2)9/h3-6,9-10H,1-2H3/b6-4+,7-5-,8-3-.
What are the key properties of (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol?
(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol has a molecular weight of 140.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol is sourced from PubChem (CID 88665396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).