triethyl(2-methoxypent-3-enyl)azanium

C12H26NO+ — CID 89008204

IUPACtriethyl(2-methoxypent-3-enyl)azanium
SMILESCC=CC(C[N+](CC)(CC)CC)OC
InChIInChI=1S/C12H26NO/c1-6-10-12(14-5)11-13(7-2,8-3)9-4/h6,10,12H,7-9,11H2,1-5H3/q+1
InChIKeyDXKJPDNUVXTWIX-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.45
Rot. Bonds7

About triethyl(2-methoxypent-3-enyl)azanium

triethyl(2-methoxypent-3-enyl)azanium (PubChem CID 89008204) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is triethyl(2-methoxypent-3-enyl)azanium.

Molecular Properties

Compound Nametriethyl(2-methoxypent-3-enyl)azanium
PubChem CID89008204
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Nametriethyl(2-methoxypent-3-enyl)azanium
SMILESCC=CC(C[N+](CC)(CC)CC)OC
InChIInChI=1S/C12H26NO/c1-6-10-12(14-5)11-13(7-2,8-3)9-4/h6,10,12H,7-9,11H2,1-5H3/q+1
InChIKeyDXKJPDNUVXTWIX-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl(2-methoxypent-3-enyl)azanium?
The IUPAC name of triethyl(2-methoxypent-3-enyl)azanium (CID 89008204) is triethyl(2-methoxypent-3-enyl)azanium.
What is the SMILES notation for triethyl(2-methoxypent-3-enyl)azanium?
The canonical SMILES for triethyl(2-methoxypent-3-enyl)azanium is CC=CC(C[N+](CC)(CC)CC)OC.
What is the InChIKey of triethyl(2-methoxypent-3-enyl)azanium?
The InChIKey is DXKJPDNUVXTWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO/c1-6-10-12(14-5)11-13(7-2,8-3)9-4/h6,10,12H,7-9,11H2,1-5H3/q+1.
What are the key properties of triethyl(2-methoxypent-3-enyl)azanium?
triethyl(2-methoxypent-3-enyl)azanium has a molecular weight of 200.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-methoxypent-3-enyl)azanium is sourced from PubChem (CID 89008204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).