methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate

C8H12O3 — CID 71394241

IUPACmethyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate
SMILESCOC(=O)C1=CC(C)C(C)O1
InChIInChI=1S/C8H12O3/c1-5-4-7(8(9)10-3)11-6(5)2/h4-6H,1-3H3
InChIKeyJSHIQTCQAGUCLE-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.10
Rot. Bonds1

About methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate

methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate (PubChem CID 71394241) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate
PubChem CID71394241
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate
SMILESCOC(=O)C1=CC(C)C(C)O1
InChIInChI=1S/C8H12O3/c1-5-4-7(8(9)10-3)11-6(5)2/h4-6H,1-3H3
InChIKeyJSHIQTCQAGUCLE-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate (CID 71394241) is methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate is COC(=O)C1=CC(C)C(C)O1.
What is the InChIKey of methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate?
The InChIKey is JSHIQTCQAGUCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-4-7(8(9)10-3)11-6(5)2/h4-6H,1-3H3.
What are the key properties of methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate?
methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 71394241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).