2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium

C14H30NO+ — CID 174009854

IUPAC2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium
SMILESC/C=C(/C)OCC[N+](CC)(CCC)CCC
InChIInChI=1S/C14H30NO/c1-6-10-15(9-4,11-7-2)12-13-16-14(5)8-3/h8H,6-7,9-13H2,1-5H3/q+1/b14-8-
InChIKeyIMPXCHDVOLMDDE-ZSOIEALJSA-N
MW228.40 g/mol
LogP3.58
Rot. Bonds9

About 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium

2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium (PubChem CID 174009854) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium
PubChem CID174009854
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Name2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium
SMILESC/C=C(/C)OCC[N+](CC)(CCC)CCC
InChIInChI=1S/C14H30NO/c1-6-10-15(9-4,11-7-2)12-13-16-14(5)8-3/h8H,6-7,9-13H2,1-5H3/q+1/b14-8-
InChIKeyIMPXCHDVOLMDDE-ZSOIEALJSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.58
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 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium (CID 174009854) is 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium is C/C=C(/C)OCC[N+](CC)(CCC)CCC.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium?
The InChIKey is IMPXCHDVOLMDDE-ZSOIEALJSA-N. The full InChI is InChI=1S/C14H30NO/c1-6-10-15(9-4,11-7-2)12-13-16-14(5)8-3/h8H,6-7,9-13H2,1-5H3/q+1/b14-8-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium?
2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium has a molecular weight of 228.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium is sourced from PubChem (CID 174009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).