(Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium

C7H11N2O3+ — CID 11953342

IUPAC(Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium
SMILESCOC(=O)CCC/C(O)=C/[N+]#N
InChIInChI=1S/C7H10N2O3/c1-12-7(11)4-2-3-6(10)5-9-8/h5H,2-4H2,1H3/p+1/b6-5-
InChIKeyYTHJROJBAKBFFP-WAYWQWQTSA-O
MW171.18 g/mol
LogP1.58
Rot. Bonds4

About (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium

(Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium (PubChem CID 11953342) has the molecular formula C7H11N2O3+ and a molecular weight of 171.18 g/mol. Its IUPAC name is (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium
PubChem CID11953342
Molecular FormulaC7H11N2O3+
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name(Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium
SMILESCOC(=O)CCC/C(O)=C/[N+]#N
InChIInChI=1S/C7H10N2O3/c1-12-7(11)4-2-3-6(10)5-9-8/h5H,2-4H2,1H3/p+1/b6-5-
InChIKeyYTHJROJBAKBFFP-WAYWQWQTSA-O
XLogP1.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl pentanedioate;hydrochloride
CID 175168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 5-methylidenenonanedioate
CID 121012075
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
dimethyl 6,7-dioxododecanedioate
CID 71343651
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methyl 5-methoxy-5-sulfanylidenepentanoate
CID 54249997

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium?
The IUPAC name of (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium (CID 11953342) is (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium.
What is the SMILES notation for (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium?
The canonical SMILES for (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium is COC(=O)CCC/C(O)=C/[N+]#N.
What is the InChIKey of (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium?
The InChIKey is YTHJROJBAKBFFP-WAYWQWQTSA-O. The full InChI is InChI=1S/C7H10N2O3/c1-12-7(11)4-2-3-6(10)5-9-8/h5H,2-4H2,1H3/p+1/b6-5-.
What are the key properties of (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium?
(Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium has a molecular weight of 171.18 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium is sourced from PubChem (CID 11953342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).