methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate

C9H12O3 — CID 11829832

IUPACmethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C9H12O3/c1-4-7-5-8(6(2)12-7)9(10)11-3/h4,7H,1,5H2,2-3H3
InChIKeyUYDXASYCPKOQOG-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.41
Rot. Bonds2

About methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate

methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 11829832) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID11829832
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namemethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C9H12O3/c1-4-7-5-8(6(2)12-7)9(10)11-3/h4,7H,1,5H2,2-3H3
InChIKeyUYDXASYCPKOQOG-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 11829832) is methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate is C=CC1CC(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is UYDXASYCPKOQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-4-7-5-8(6(2)12-7)9(10)11-3/h4,7H,1,5H2,2-3H3.
What are the key properties of methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 168.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11829832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).