methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate

C15H24O3 — CID 102226519

IUPACmethyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate
SMILESCCC1=CC(C)(CC(C)(C)C)O/C1=C\C(=O)OC
InChIInChI=1S/C15H24O3/c1-7-11-9-15(5,10-14(2,3)4)18-12(11)8-13(16)17-6/h8-9H,7,10H2,1-6H3/b12-8-
InChIKeyXDKYGUBDGNKGDF-WQLSENKSSA-N
MW252.35 g/mol
LogP3.60
Rot. Bonds3

About methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate

methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate (PubChem CID 102226519) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate
PubChem CID102226519
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namemethyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate
SMILESCCC1=CC(C)(CC(C)(C)C)O/C1=C\C(=O)OC
InChIInChI=1S/C15H24O3/c1-7-11-9-15(5,10-14(2,3)4)18-12(11)8-13(16)17-6/h8-9H,7,10H2,1-6H3/b12-8-
InChIKeyXDKYGUBDGNKGDF-WQLSENKSSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate 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 methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate (CID 102226519) is methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate is CCC1=CC(C)(CC(C)(C)C)O/C1=C\C(=O)OC.
What is the InChIKey of methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate?
The InChIKey is XDKYGUBDGNKGDF-WQLSENKSSA-N. The full InChI is InChI=1S/C15H24O3/c1-7-11-9-15(5,10-14(2,3)4)18-12(11)8-13(16)17-6/h8-9H,7,10H2,1-6H3/b12-8-.
What are the key properties of methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate?
methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate has a molecular weight of 252.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[5-(2,2-dimethylpropyl)-3-ethyl-5-methylfuran-2-ylidene]acetate is sourced from PubChem (CID 102226519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).