11-(2-oxooxolan-3-yl)undecyl butanoate

C19H34O4 — CID 70573527

IUPAC11-(2-oxooxolan-3-yl)undecyl butanoate
SMILESCCCC(=O)OCCCCCCCCCCCC1CCOC1=O
InChIInChI=1S/C19H34O4/c1-2-12-18(20)22-15-11-9-7-5-3-4-6-8-10-13-17-14-16-23-19(17)21/h17H,2-16H2,1H3
InChIKeyWLQZESDQOTVGNW-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.79
Rot. Bonds14

About 11-(2-oxooxolan-3-yl)undecyl butanoate

11-(2-oxooxolan-3-yl)undecyl butanoate (PubChem CID 70573527) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 11-(2-oxooxolan-3-yl)undecyl butanoate.

Molecular Properties

Compound Name11-(2-oxooxolan-3-yl)undecyl butanoate
PubChem CID70573527
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name11-(2-oxooxolan-3-yl)undecyl butanoate
SMILESCCCC(=O)OCCCCCCCCCCCC1CCOC1=O
InChIInChI=1S/C19H34O4/c1-2-12-18(20)22-15-11-9-7-5-3-4-6-8-10-13-17-14-16-23-19(17)21/h17H,2-16H2,1H3
InChIKeyWLQZESDQOTVGNW-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-(2-oxooxolan-3-yl)undecyl butanoate 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

9-cyclopropylnonyl butanoate
CID 21445863
4-cycloheptylbutyl butanoate
CID 54174835
pentadecyl butanoate
CID 560582
13-cyclopropyltridecyl pentanoate
CID 54121613
butane;dodecyl butanoate
CID 91569021
pentyl butanoate
CID 10890
5-cyclopropylpentyl tetradecanoate
CID 21445891
9-cyclopropylnonyl hexanoate
CID 21445837
2-cyclopentylethyl butanoate
CID 142409115
6-aminohexyl butanoate
CID 15683407
4-butanoyloxybutyl heptanoate
CID 176849500
dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 100949293

Frequently Asked Questions

What is the IUPAC name of 11-(2-oxooxolan-3-yl)undecyl butanoate?
The IUPAC name of 11-(2-oxooxolan-3-yl)undecyl butanoate (CID 70573527) is 11-(2-oxooxolan-3-yl)undecyl butanoate.
What is the SMILES notation for 11-(2-oxooxolan-3-yl)undecyl butanoate?
The canonical SMILES for 11-(2-oxooxolan-3-yl)undecyl butanoate is CCCC(=O)OCCCCCCCCCCCC1CCOC1=O.
What is the InChIKey of 11-(2-oxooxolan-3-yl)undecyl butanoate?
The InChIKey is WLQZESDQOTVGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-2-12-18(20)22-15-11-9-7-5-3-4-6-8-10-13-17-14-16-23-19(17)21/h17H,2-16H2,1H3.
What are the key properties of 11-(2-oxooxolan-3-yl)undecyl butanoate?
11-(2-oxooxolan-3-yl)undecyl butanoate has a molecular weight of 326.48 g/mol, XLogP of 4.79, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-oxooxolan-3-yl)undecyl butanoate is sourced from PubChem (CID 70573527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).