tris(hex-2-enyl)-(1-hydroxyethyl)azanium

C20H38NO+ — CID 57017199

IUPACtris(hex-2-enyl)-(1-hydroxyethyl)azanium
SMILESCCCC=CC[N+](CC=CCCC)(CC=CCCC)C(C)O
InChIInChI=1S/C20H38NO/c1-5-8-11-14-17-21(20(4)22,18-15-12-9-6-2)19-16-13-10-7-3/h11-16,20,22H,5-10,17-19H2,1-4H3/q+1
InChIKeyZDKAYWMENREIIP-UHFFFAOYSA-N
MW308.53 g/mol
LogP5.21
Rot. Bonds13

About tris(hex-2-enyl)-(1-hydroxyethyl)azanium

tris(hex-2-enyl)-(1-hydroxyethyl)azanium (PubChem CID 57017199) has the molecular formula C20H38NO+ and a molecular weight of 308.53 g/mol. Its IUPAC name is tris(hex-2-enyl)-(1-hydroxyethyl)azanium.

Molecular Properties

Compound Nametris(hex-2-enyl)-(1-hydroxyethyl)azanium
PubChem CID57017199
Molecular FormulaC20H38NO+
Molecular Weight308.53 g/mol
Exact Mass308.29
IUPAC Nametris(hex-2-enyl)-(1-hydroxyethyl)azanium
SMILESCCCC=CC[N+](CC=CCCC)(CC=CCCC)C(C)O
InChIInChI=1S/C20H38NO/c1-5-8-11-14-17-21(20(4)22,18-15-12-9-6-2)19-16-13-10-7-3/h11-16,20,22H,5-10,17-19H2,1-4H3/q+1
InChIKeyZDKAYWMENREIIP-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 tris(hex-2-enyl)-(1-hydroxyethyl)azanium?
The IUPAC name of tris(hex-2-enyl)-(1-hydroxyethyl)azanium (CID 57017199) is tris(hex-2-enyl)-(1-hydroxyethyl)azanium.
What is the SMILES notation for tris(hex-2-enyl)-(1-hydroxyethyl)azanium?
The canonical SMILES for tris(hex-2-enyl)-(1-hydroxyethyl)azanium is CCCC=CC[N+](CC=CCCC)(CC=CCCC)C(C)O.
What is the InChIKey of tris(hex-2-enyl)-(1-hydroxyethyl)azanium?
The InChIKey is ZDKAYWMENREIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38NO/c1-5-8-11-14-17-21(20(4)22,18-15-12-9-6-2)19-16-13-10-7-3/h11-16,20,22H,5-10,17-19H2,1-4H3/q+1.
What are the key properties of tris(hex-2-enyl)-(1-hydroxyethyl)azanium?
tris(hex-2-enyl)-(1-hydroxyethyl)azanium has a molecular weight of 308.53 g/mol, XLogP of 5.21, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(hex-2-enyl)-(1-hydroxyethyl)azanium is sourced from PubChem (CID 57017199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).