methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate

C13H18O5 — CID 101099951

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate
SMILESC=C(C)C1(C)CC(C(=O)OC)=C(CC(=O)OC)O1
InChIInChI=1S/C13H18O5/c1-8(2)13(3)7-9(12(15)17-5)10(18-13)6-11(14)16-4/h1,6-7H2,2-5H3
InChIKeyWZRPKVFKVOEFSH-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.73
Rot. Bonds4

About methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate (PubChem CID 101099951) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate
PubChem CID101099951
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate
SMILESC=C(C)C1(C)CC(C(=O)OC)=C(CC(=O)OC)O1
InChIInChI=1S/C13H18O5/c1-8(2)13(3)7-9(12(15)17-5)10(18-13)6-11(14)16-4/h1,6-7H2,2-5H3
InChIKeyWZRPKVFKVOEFSH-UHFFFAOYSA-N
XLogP1.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-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

Related Compounds

methyl (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 10060747
tert-butyl 5-methyl-2-methylidene-3-propyl-3H-furan-4-carboxylate
CID 12424583
3-Carbethoxy-2,5-dimethyl-5-isopropenyl-4,5-dihydrofuran
CID 13413057
5-Isopropenyl-3-carboxy-2,5-dimethyl-4,5-dihydrofuran
CID 85664307
Methyl 2-methyl-2-(2-methylpropyl)-5-oxofuran-3-carboxylate
CID 101497104
5-Isopropyl-3-carbethoxy-2,5-dimethyl-4,5-dihydrofuran
CID 129796787
Methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate
CID 135049676
1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate
CID 135053852
2-O-tert-butyl 1-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate
CID 135057027
ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate
CID 139257408
4,4-Diethyl-11-methyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
CID 12027690
Ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 14113980

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate (CID 101099951) is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate is C=C(C)C1(C)CC(C(=O)OC)=C(CC(=O)OC)O1.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate?
The InChIKey is WZRPKVFKVOEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-8(2)13(3)7-9(12(15)17-5)10(18-13)6-11(14)16-4/h1,6-7H2,2-5H3.
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-2-prop-1-en-2-yl-3H-furan-4-carboxylate is sourced from PubChem (CID 101099951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).