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

C11H18O3 — CID 14895394

IUPACmethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCC1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C11H18O3/c1-4-5-6-9-7-10(8(2)14-9)11(12)13-3/h9H,4-7H2,1-3H3
InChIKeyZVNLDPANVDJPAC-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds4

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

methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 14895394) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID14895394
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCC1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C11H18O3/c1-4-5-6-9-7-10(8(2)14-9)11(12)13-3/h9H,4-7H2,1-3H3
InChIKeyZVNLDPANVDJPAC-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate 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 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 14895394) is methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate is CCCCC1CC(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is ZVNLDPANVDJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-5-6-9-7-10(8(2)14-9)11(12)13-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 14895394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).