2-prop-2-enoyloxyethyl 6-hydroxyhexanoate

C11H18O5 — CID 3018935

IUPAC2-prop-2-enoyloxyethyl 6-hydroxyhexanoate
SMILESC=CC(=O)OCCOC(=O)CCCCCO
InChIInChI=1S/C11H18O5/c1-2-10(13)15-8-9-16-11(14)6-4-3-5-7-12/h2,12H,1,3-9H2
InChIKeyFMZKUQXLZGRENB-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.81
Rot. Bonds9

About 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate

2-prop-2-enoyloxyethyl 6-hydroxyhexanoate (PubChem CID 3018935) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 6-hydroxyhexanoate
PubChem CID3018935
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-prop-2-enoyloxyethyl 6-hydroxyhexanoate
SMILESC=CC(=O)OCCOC(=O)CCCCCO
InChIInChI=1S/C11H18O5/c1-2-10(13)15-8-9-16-11(14)6-4-3-5-7-12/h2,12H,1,3-9H2
InChIKeyFMZKUQXLZGRENB-UHFFFAOYSA-N
XLogP0.81
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate (CID 3018935) is 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate is C=CC(=O)OCCOC(=O)CCCCCO.
What is the InChIKey of 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate?
The InChIKey is FMZKUQXLZGRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-10(13)15-8-9-16-11(14)6-4-3-5-7-12/h2,12H,1,3-9H2.
What are the key properties of 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate?
2-prop-2-enoyloxyethyl 6-hydroxyhexanoate has a molecular weight of 230.26 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 6-hydroxyhexanoate is sourced from PubChem (CID 3018935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).