8-methyldodeca-5,7,9-trienylazanium hydroxide

C13H25NO — CID 176891399

IUPAC8-methyldodeca-5,7,9-trienylazanium hydroxide
SMILESCCC=CC(C)=CC=CCCCC[NH3+].[OH-]
InChIInChI=1S/C13H23N.H2O/c1-3-4-10-13(2)11-8-6-5-7-9-12-14;/h4,6,8,10-11H,3,5,7,9,12,14H2,1-2H3;1H2
InChIKeyVFIBYXSVKLWDAN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.69
Rot. Bonds7

About 8-methyldodeca-5,7,9-trienylazanium hydroxide

8-methyldodeca-5,7,9-trienylazanium hydroxide (PubChem CID 176891399) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 8-methyldodeca-5,7,9-trienylazanium hydroxide.

Molecular Properties

Compound Name8-methyldodeca-5,7,9-trienylazanium hydroxide
PubChem CID176891399
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name8-methyldodeca-5,7,9-trienylazanium hydroxide
SMILESCCC=CC(C)=CC=CCCCC[NH3+].[OH-]
InChIInChI=1S/C13H23N.H2O/c1-3-4-10-13(2)11-8-6-5-7-9-12-14;/h4,6,8,10-11H,3,5,7,9,12,14H2,1-2H3;1H2
InChIKeyVFIBYXSVKLWDAN-UHFFFAOYSA-N
XLogP2.69
TPSA57.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-methylocta-1,3,5-triene
CID 142968936
hept-4-enylazanium
CID 148945240
3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol
CID 139786056
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
N-methyl-N-[(E)-[(2E,4E)-2-methylundeca-2,4-dienylidene]amino]methanamine
CID 24740811
(2Z,4E)-3-methylnona-2,4-dienal
CID 10678430
(12Z,14Z)-heptadeca-1,12,14-triene
CID 6443230
pentadeca-10,12-dien-1-ol
CID 71370409
trideca-1,8,10-triene
CID 548898
(2E,4E)-2-methyldodeca-2,4-dien-1-ol
CID 16737921
1,1-dichloroocta-1,3-diene;palladium
CID 87090262
3-methylnona-1,3,5-triene
CID 154088357

Frequently Asked Questions

What is the IUPAC name of 8-methyldodeca-5,7,9-trienylazanium hydroxide?
The IUPAC name of 8-methyldodeca-5,7,9-trienylazanium hydroxide (CID 176891399) is 8-methyldodeca-5,7,9-trienylazanium hydroxide.
What is the SMILES notation for 8-methyldodeca-5,7,9-trienylazanium hydroxide?
The canonical SMILES for 8-methyldodeca-5,7,9-trienylazanium hydroxide is CCC=CC(C)=CC=CCCCC[NH3+].[OH-].
What is the InChIKey of 8-methyldodeca-5,7,9-trienylazanium hydroxide?
The InChIKey is VFIBYXSVKLWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.H2O/c1-3-4-10-13(2)11-8-6-5-7-9-12-14;/h4,6,8,10-11H,3,5,7,9,12,14H2,1-2H3;1H2.
What are the key properties of 8-methyldodeca-5,7,9-trienylazanium hydroxide?
8-methyldodeca-5,7,9-trienylazanium hydroxide has a molecular weight of 211.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyldodeca-5,7,9-trienylazanium hydroxide is sourced from PubChem (CID 176891399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).