[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium

C12H20NO+ — CID 129320392

IUPAC[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium
SMILESC/C=C/C=C/C=C/[C@@H](O)C/C=C/C[NH3+]
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/p+1/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKeyIWHNBGKZOVCSTH-QHHLHPODSA-O
MW194.30 g/mol
LogP1.22
Rot. Bonds6

About [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium

[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium (PubChem CID 129320392) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium.

Molecular Properties

Compound Name[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium
PubChem CID129320392
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium
SMILESC/C=C/C=C/C=C/[C@@H](O)C/C=C/C[NH3+]
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/p+1/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKeyIWHNBGKZOVCSTH-QHHLHPODSA-O
XLogP1.22
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium?
The IUPAC name of [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium (CID 129320392) is [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium.
What is the SMILES notation for [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium?
The canonical SMILES for [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium is C/C=C/C=C/C=C/[C@@H](O)C/C=C/C[NH3+].
What is the InChIKey of [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium?
The InChIKey is IWHNBGKZOVCSTH-QHHLHPODSA-O. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/p+1/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1.
What are the key properties of [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium?
[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium has a molecular weight of 194.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium is sourced from PubChem (CID 129320392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).