trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium

C14H24NO+ — CID 146646954

IUPACtrimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium
SMILESC=C=CCC(C[N+](C)(C)C)OC(=C=C)CC
InChIInChI=1S/C14H24NO/c1-7-10-11-14(12-15(4,5)6)16-13(8-2)9-3/h10,14H,1-2,9,11-12H2,3-6H3/q+1
InChIKeyVNQMQMTWDZDSHU-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.89
Rot. Bonds7

About trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium

trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium (PubChem CID 146646954) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium
PubChem CID146646954
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Nametrimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium
SMILESC=C=CCC(C[N+](C)(C)C)OC(=C=C)CC
InChIInChI=1S/C14H24NO/c1-7-10-11-14(12-15(4,5)6)16-13(8-2)9-3/h10,14H,1-2,9,11-12H2,3-6H3/q+1
InChIKeyVNQMQMTWDZDSHU-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium?
The IUPAC name of trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium (CID 146646954) is trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium.
What is the SMILES notation for trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium?
The canonical SMILES for trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium is C=C=CCC(C[N+](C)(C)C)OC(=C=C)CC.
What is the InChIKey of trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium?
The InChIKey is VNQMQMTWDZDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO/c1-7-10-11-14(12-15(4,5)6)16-13(8-2)9-3/h10,14H,1-2,9,11-12H2,3-6H3/q+1.
What are the key properties of trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium?
trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium has a molecular weight of 222.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-penta-1,2-dien-3-yloxyhexa-4,5-dienyl)azanium is sourced from PubChem (CID 146646954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).