(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium

C15H32NO3+ — CID 57042985

IUPAC(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium
SMILESCCC[N+](CC)(CCC)CC(CCCO)OC(C)=O
InChIInChI=1S/C15H32NO3/c1-5-10-16(7-3,11-6-2)13-15(9-8-12-17)19-14(4)18/h15,17H,5-13H2,1-4H3/q+1
InChIKeyVDUUGHXGSUOGNU-UHFFFAOYSA-N
MW274.42 g/mol
LogP2.35
Rot. Bonds11

About (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium

(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium (PubChem CID 57042985) has the molecular formula C15H32NO3+ and a molecular weight of 274.42 g/mol. Its IUPAC name is (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium.

Molecular Properties

Compound Name(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium
PubChem CID57042985
Molecular FormulaC15H32NO3+
Molecular Weight274.42 g/mol
Exact Mass274.24
IUPAC Name(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium
SMILESCCC[N+](CC)(CCC)CC(CCCO)OC(C)=O
InChIInChI=1S/C15H32NO3/c1-5-10-16(7-3,11-6-2)13-15(9-8-12-17)19-14(4)18/h15,17H,5-13H2,1-4H3/q+1
InChIKeyVDUUGHXGSUOGNU-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-hydroxyhexadecan-8-yl acetate
CID 175427631
8-hydroxyoctan-3-yl acetate
CID 101015615
2-acetyloxydecyl-dimethyl-octylazanium
CID 88514378
2-acetyloxypropyl(tripropyl)azanium
CID 24833508
(313C)heptan-4-yl acetate
CID 117065532
2-acetyloxyoctadecyl-(2-carboxyethyl)-dimethylazanium
CID 88682437
18-hydroxyoctadec-9-en-7-yl acetate
CID 154089470
[(Z)-18-hydroxyoctadec-9-en-7-yl] acetate
CID 102090399
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749
[(3S)-nonan-3-yl] acetate
CID 76967958
1-iodohexan-2-yl acetate
CID 11184782
1-bromopentan-2-yl acetate
CID 14264119

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium?
The IUPAC name of (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium (CID 57042985) is (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium.
What is the SMILES notation for (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium?
The canonical SMILES for (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium is CCC[N+](CC)(CCC)CC(CCCO)OC(C)=O.
What is the InChIKey of (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium?
The InChIKey is VDUUGHXGSUOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO3/c1-5-10-16(7-3,11-6-2)13-15(9-8-12-17)19-14(4)18/h15,17H,5-13H2,1-4H3/q+1.
What are the key properties of (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium?
(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium has a molecular weight of 274.42 g/mol, XLogP of 2.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium is sourced from PubChem (CID 57042985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).