(Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium

C9H15N2O4+ — CID 11160196

IUPAC(Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium
SMILESCCO/C(O)=C(\[N+]#N)C(CC)OC(C)=O
InChIInChI=1S/C9H14N2O4/c1-4-7(15-6(3)12)8(11-10)9(13)14-5-2/h7H,4-5H2,1-3H3/p+1/b9-8-
InChIKeyCLBVIWKLCIVFQQ-HJWRWDBZSA-O
MW215.23 g/mol
LogP1.94
Rot. Bonds5

About (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium

(Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium (PubChem CID 11160196) has the molecular formula C9H15N2O4+ and a molecular weight of 215.23 g/mol. Its IUPAC name is (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium.

Molecular Properties

Compound Name(Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium
PubChem CID11160196
Molecular FormulaC9H15N2O4+
Molecular Weight215.23 g/mol
Exact Mass215.10
IUPAC Name(Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium
SMILESCCO/C(O)=C(\[N+]#N)C(CC)OC(C)=O
InChIInChI=1S/C9H14N2O4/c1-4-7(15-6(3)12)8(11-10)9(13)14-5-2/h7H,4-5H2,1-3H3/p+1/b9-8-
InChIKeyCLBVIWKLCIVFQQ-HJWRWDBZSA-O
XLogP1.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium?
The IUPAC name of (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium (CID 11160196) is (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium.
What is the SMILES notation for (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium?
The canonical SMILES for (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium is CCO/C(O)=C(\[N+]#N)C(CC)OC(C)=O.
What is the InChIKey of (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium?
The InChIKey is CLBVIWKLCIVFQQ-HJWRWDBZSA-O. The full InChI is InChI=1S/C9H14N2O4/c1-4-7(15-6(3)12)8(11-10)9(13)14-5-2/h7H,4-5H2,1-3H3/p+1/b9-8-.
What are the key properties of (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium?
(Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium has a molecular weight of 215.23 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-acetyloxy-1-ethoxy-1-hydroxypent-1-ene-2-diazonium is sourced from PubChem (CID 11160196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).