(3E)-4-hydroxyhexa-1,3-diene-3-diazonium

C6H9N2O+ — CID 11094601

IUPAC(3E)-4-hydroxyhexa-1,3-diene-3-diazonium
SMILESC=C/C([N+]#N)=C(\O)CC
InChIInChI=1S/C6H8N2O/c1-3-5(8-7)6(9)4-2/h3H,1,4H2,2H3/p+1/b6-5+
InChIKeyFVKBIPPSMFKRMX-AATRIKPKSA-O
MW125.15 g/mol
LogP2.21
Rot. Bonds2

About (3E)-4-hydroxyhexa-1,3-diene-3-diazonium

(3E)-4-hydroxyhexa-1,3-diene-3-diazonium (PubChem CID 11094601) has the molecular formula C6H9N2O+ and a molecular weight of 125.15 g/mol. Its IUPAC name is (3E)-4-hydroxyhexa-1,3-diene-3-diazonium.

Molecular Properties

Compound Name(3E)-4-hydroxyhexa-1,3-diene-3-diazonium
PubChem CID11094601
Molecular FormulaC6H9N2O+
Molecular Weight125.15 g/mol
Exact Mass125.07
IUPAC Name(3E)-4-hydroxyhexa-1,3-diene-3-diazonium
SMILESC=C/C([N+]#N)=C(\O)CC
InChIInChI=1S/C6H8N2O/c1-3-5(8-7)6(9)4-2/h3H,1,4H2,2H3/p+1/b6-5+
InChIKeyFVKBIPPSMFKRMX-AATRIKPKSA-O
XLogP2.21
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
CID 130281756
(3E)-hepta-1,3-diene-3-diazonium
CID 143333570
(1Z,6E)-1-cyano-2-hydroxy-6,7-dimethylnona-1,6,8-triene-1-diazonium
CID 125476397
3-methylidenepent-1-ene
CID 18850
hepta-1,3-diene-3,4-diol
CID 140987988
heptadecane;prop-2-enoic acid
CID 158681422
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium
CID 10797180
5-ethylideneocta-1,3-diene-3-diazonium
CID 123497453
buta-1,3-diene;propanoic acid
CID 175603482
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231

Frequently Asked Questions

What is the IUPAC name of (3E)-4-hydroxyhexa-1,3-diene-3-diazonium?
The IUPAC name of (3E)-4-hydroxyhexa-1,3-diene-3-diazonium (CID 11094601) is (3E)-4-hydroxyhexa-1,3-diene-3-diazonium.
What is the SMILES notation for (3E)-4-hydroxyhexa-1,3-diene-3-diazonium?
The canonical SMILES for (3E)-4-hydroxyhexa-1,3-diene-3-diazonium is C=C/C([N+]#N)=C(\O)CC.
What is the InChIKey of (3E)-4-hydroxyhexa-1,3-diene-3-diazonium?
The InChIKey is FVKBIPPSMFKRMX-AATRIKPKSA-O. The full InChI is InChI=1S/C6H8N2O/c1-3-5(8-7)6(9)4-2/h3H,1,4H2,2H3/p+1/b6-5+.
What are the key properties of (3E)-4-hydroxyhexa-1,3-diene-3-diazonium?
(3E)-4-hydroxyhexa-1,3-diene-3-diazonium has a molecular weight of 125.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-hydroxyhexa-1,3-diene-3-diazonium is sourced from PubChem (CID 11094601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).