ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate

C13H18O3 — CID 23272545

IUPACethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccc(C)o2)C1(C)C
InChIInChI=1S/C13H18O3/c1-5-15-12(14)11-10(13(11,3)4)9-7-6-8(2)16-9/h6-7,10-11H,5H2,1-4H3
InChIKeyYXTHWBHMVIJFQH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.89
Rot. Bonds3

About ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate

ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate (PubChem CID 23272545) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate
PubChem CID23272545
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccc(C)o2)C1(C)C
InChIInChI=1S/C13H18O3/c1-5-15-12(14)11-10(13(11,3)4)9-7-6-8(2)16-9/h6-7,10-11H,5H2,1-4H3
InChIKeyYXTHWBHMVIJFQH-UHFFFAOYSA-N
XLogP2.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate (CID 23272545) is ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1C(c2ccc(C)o2)C1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate?
The InChIKey is YXTHWBHMVIJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-15-12(14)11-10(13(11,3)4)9-7-6-8(2)16-9/h6-7,10-11H,5H2,1-4H3.
What are the key properties of ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate?
ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate has a molecular weight of 222.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-(5-methylfuran-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 23272545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).