furan-2-yl 6-prop-2-enoyloxyhexanoate

C13H16O5 — CID 142653913

IUPACfuran-2-yl 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)Oc1ccco1
InChIInChI=1S/C13H16O5/c1-2-11(14)16-9-5-3-4-7-12(15)18-13-8-6-10-17-13/h2,6,8,10H,1,3-5,7,9H2
InChIKeyWIDGDLBBDUJVIW-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.47
Rot. Bonds8

About furan-2-yl 6-prop-2-enoyloxyhexanoate

furan-2-yl 6-prop-2-enoyloxyhexanoate (PubChem CID 142653913) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is furan-2-yl 6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Namefuran-2-yl 6-prop-2-enoyloxyhexanoate
PubChem CID142653913
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namefuran-2-yl 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)Oc1ccco1
InChIInChI=1S/C13H16O5/c1-2-11(14)16-9-5-3-4-7-12(15)18-13-8-6-10-17-13/h2,6,8,10H,1,3-5,7,9H2
InChIKeyWIDGDLBBDUJVIW-UHFFFAOYSA-N
XLogP2.47
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
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 furan-2-yl 6-prop-2-enoyloxyhexanoate 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

(4-methylphenyl) 7-prop-2-enoyloxyheptanoate
CID 21049752
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 6-oxohexanoate
CID 121441027
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
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
CID 141175225
[4-(4-cyanophenyl)phenyl] 8-prop-2-enoyloxyoctanoate
CID 20586865
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
[2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)-3-(5-prop-2-enoyloxypentanoyloxy)propyl] 6-prop-2-enoyloxyhexanoate
CID 176640441
6-prop-2-enoyloxyhexyl octanoate
CID 54500825
4-oxo-4-[6-oxo-6-[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexoxy]hexoxy]butanoic acid;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
CID 159615656

Frequently Asked Questions

What is the IUPAC name of furan-2-yl 6-prop-2-enoyloxyhexanoate?
The IUPAC name of furan-2-yl 6-prop-2-enoyloxyhexanoate (CID 142653913) is furan-2-yl 6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for furan-2-yl 6-prop-2-enoyloxyhexanoate?
The canonical SMILES for furan-2-yl 6-prop-2-enoyloxyhexanoate is C=CC(=O)OCCCCCC(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl 6-prop-2-enoyloxyhexanoate?
The InChIKey is WIDGDLBBDUJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-2-11(14)16-9-5-3-4-7-12(15)18-13-8-6-10-17-13/h2,6,8,10H,1,3-5,7,9H2.
What are the key properties of furan-2-yl 6-prop-2-enoyloxyhexanoate?
furan-2-yl 6-prop-2-enoyloxyhexanoate has a molecular weight of 252.27 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 6-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 142653913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).