11-hydroxyundecyl prop-2-enoate

C14H26O3 — CID 54223498

IUPAC11-hydroxyundecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCO
InChIInChI=1S/C14H26O3/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15/h2,15H,1,3-13H2
InChIKeyQEGIOGSAGXFTLO-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.22
Rot. Bonds12

About 11-hydroxyundecyl prop-2-enoate

11-hydroxyundecyl prop-2-enoate (PubChem CID 54223498) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 11-hydroxyundecyl prop-2-enoate.

Molecular Properties

Compound Name11-hydroxyundecyl prop-2-enoate
PubChem CID54223498
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name11-hydroxyundecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCO
InChIInChI=1S/C14H26O3/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15/h2,15H,1,3-13H2
InChIKeyQEGIOGSAGXFTLO-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 11-hydroxyundecyl prop-2-enoate 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

10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decan-1-ol;decyl prop-2-enoate
CID 158001479
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
CID 141175225
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
6-(hydroxymethoxy)hexyl prop-2-enoate
CID 130426274
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyundecyl prop-2-enoate?
The IUPAC name of 11-hydroxyundecyl prop-2-enoate (CID 54223498) is 11-hydroxyundecyl prop-2-enoate.
What is the SMILES notation for 11-hydroxyundecyl prop-2-enoate?
The canonical SMILES for 11-hydroxyundecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCO.
What is the InChIKey of 11-hydroxyundecyl prop-2-enoate?
The InChIKey is QEGIOGSAGXFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15/h2,15H,1,3-13H2.
What are the key properties of 11-hydroxyundecyl prop-2-enoate?
11-hydroxyundecyl prop-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 3.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyundecyl prop-2-enoate is sourced from PubChem (CID 54223498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).