(1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium

C12H19N2O2+ — CID 11775733

IUPAC(1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium
SMILESC=CCCCCCC(=O)CC/C(O)=C/[N+]#N
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-11(15)8-9-12(16)10-14-13/h2,10H,1,3-9H2/p+1/b12-10-
InChIKeyAYTZHMSXGVLOMX-BENRWUELSA-O
MW223.30 g/mol
LogP3.72
Rot. Bonds9

About (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium

(1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium (PubChem CID 11775733) has the molecular formula C12H19N2O2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium.

Molecular Properties

Compound Name(1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium
PubChem CID11775733
Molecular FormulaC12H19N2O2+
Molecular Weight223.30 g/mol
Exact Mass223.14
IUPAC Name(1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium
SMILESC=CCCCCCC(=O)CC/C(O)=C/[N+]#N
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-11(15)8-9-12(16)10-14-13/h2,10H,1,3-9H2/p+1/b12-10-
InChIKeyAYTZHMSXGVLOMX-BENRWUELSA-O
XLogP3.72
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tricosa-1,22-dien-12-one
CID 86210796
pentadec-14-enoyl bromide
CID 155164033
3-oxoundec-10-enoic acid
CID 126707830
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
12-aminododec-1-en-6-one
CID 116551538

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium?
The IUPAC name of (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium (CID 11775733) is (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium.
What is the SMILES notation for (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium?
The canonical SMILES for (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium is C=CCCCCCC(=O)CC/C(O)=C/[N+]#N.
What is the InChIKey of (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium?
The InChIKey is AYTZHMSXGVLOMX-BENRWUELSA-O. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-11(15)8-9-12(16)10-14-13/h2,10H,1,3-9H2/p+1/b12-10-.
What are the key properties of (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium?
(1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium has a molecular weight of 223.30 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-hydroxy-5-oxododeca-1,11-diene-1-diazonium is sourced from PubChem (CID 11775733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).