(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium

C8H13N2O2+ — CID 10797180

IUPAC(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium
SMILESCC/C=C\C([N+]#N)=C(\O)OCC
InChIInChI=1S/C8H12N2O2/c1-3-5-6-7(10-9)8(11)12-4-2/h5-6H,3-4H2,1-2H3/p+1/b6-5-,8-7+
InChIKeyOGTLEDQAIJDANE-IGTJQSIKSA-O
MW169.20 g/mol
LogP2.57
Rot. Bonds4

About (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium

(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium (PubChem CID 10797180) has the molecular formula C8H13N2O2+ and a molecular weight of 169.20 g/mol. Its IUPAC name is (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium.

Molecular Properties

Compound Name(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium
PubChem CID10797180
Molecular FormulaC8H13N2O2+
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium
SMILESCC/C=C\C([N+]#N)=C(\O)OCC
InChIInChI=1S/C8H12N2O2/c1-3-5-6-7(10-9)8(11)12-4-2/h5-6H,3-4H2,1-2H3/p+1/b6-5-,8-7+
InChIKeyOGTLEDQAIJDANE-IGTJQSIKSA-O
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1E,3E,5E)-1-ethoxy-1-hydroxyhepta-1,3,5-triene-2-diazonium
CID 10903274
(Z)-1-[azido(ditert-butyl)silyl]-2-ethoxy-2-hydroxyethenediazonium
CID 10968505
ethyl (Z)-pent-2-enoate
CID 11332473
(1Z,3E)-1-[(Z)-but-2-enoxy]-1-hydroxy-4-phenylbuta-1,3-diene-2-diazonium
CID 10800195
(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium
CID 10587173
ethyl (E)-pent-2-enimidate
CID 55267720
[(3E,5Z)-4-ethoxyocta-1,3,5-trien-3-yl]boronic acid
CID 143426853
(E)-pent-2-enoic acid
CID 638122
ethyl hepta-2,4-dienoate
CID 54483010
ethane;(3Z,5E)-3-ethoxy-4-methoxyocta-1,3,5-triene
CID 165130327
(2-amino-2-methylpropyl) (Z)-N-methylpent-2-enimidate
CID 142264818
pent-2-enoic acid;hydrochloride
CID 156883966

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium?
The IUPAC name of (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium (CID 10797180) is (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium.
What is the SMILES notation for (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium?
The canonical SMILES for (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium is CC/C=C\C([N+]#N)=C(\O)OCC.
What is the InChIKey of (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium?
The InChIKey is OGTLEDQAIJDANE-IGTJQSIKSA-O. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-6-7(10-9)8(11)12-4-2/h5-6H,3-4H2,1-2H3/p+1/b6-5-,8-7+.
What are the key properties of (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium?
(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium has a molecular weight of 169.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium is sourced from PubChem (CID 10797180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).