ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate

C14H24O3 — CID 135037899

IUPACethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)(CC(C)(C)C)C1
InChIInChI=1S/C14H24O3/c1-7-16-12(15)11-8-14(6,17-10(11)2)9-13(3,4)5/h7-9H2,1-6H3
InChIKeySOALXMLLGRSLRB-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.44
Rot. Bonds3

About ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate

ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate (PubChem CID 135037899) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate
PubChem CID135037899
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)(CC(C)(C)C)C1
InChIInChI=1S/C14H24O3/c1-7-16-12(15)11-8-14(6,17-10(11)2)9-13(3,4)5/h7-9H2,1-6H3
InChIKeySOALXMLLGRSLRB-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate?
The IUPAC name of ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate (CID 135037899) is ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate is CCOC(=O)C1=C(C)OC(C)(CC(C)(C)C)C1.
What is the InChIKey of ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate?
The InChIKey is SOALXMLLGRSLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-7-16-12(15)11-8-14(6,17-10(11)2)9-13(3,4)5/h7-9H2,1-6H3.
What are the key properties of ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate?
ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropyl)-2,5-dimethyl-3H-furan-4-carboxylate is sourced from PubChem (CID 135037899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).