(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate

C9H10O5 — CID 175248298

IUPAC(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
SMILESCC1(OC(=O)c2ccoc2)OCCO1
InChIInChI=1S/C9H10O5/c1-9(12-4-5-13-9)14-8(10)7-2-3-11-6-7/h2-3,6H,4-5H2,1H3
InChIKeyCGQHVOOMDMHODW-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.16
Rot. Bonds2

About (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate

(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate (PubChem CID 175248298) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
PubChem CID175248298
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
SMILESCC1(OC(=O)c2ccoc2)OCCO1
InChIInChI=1S/C9H10O5/c1-9(12-4-5-13-9)14-8(10)7-2-3-11-6-7/h2-3,6H,4-5H2,1H3
InChIKeyCGQHVOOMDMHODW-UHFFFAOYSA-N
XLogP1.16
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-1,3-dioxolan-2-yl) furan-3-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

ethane;1-(furan-3-yl)ethanone;methane
CID 145092753
(3-methylcyclobutyl) furan-3-carboxylate
CID 130683637
furan-3-yl-(1-methylcyclohexyl)methanone
CID 106829578
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
(2,4,6-trimethylphenyl) furan-3-carboxylate
CID 134061405
prop-2-enyl furan-3-carboxylate
CID 45090099
[(1R,5S,6S,7S,9R)-7-(furan-3-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] furan-3-carboxylate
CID 23843941
[(1S,2R,5S,6R,7S,9R)-7-(furan-3-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] furan-3-carboxylate
CID 163060085
furan-3-carboxylic acid;dihydrochloride
CID 141114987
furan-3-carbonyl(trimethyl)azanium
CID 91080420
N-methoxyfuran-3-carboxamide
CID 60701103
N-methyl-N-[(4-methyloxan-4-yl)methyl]furan-3-carboxamide
CID 110875705

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
The IUPAC name of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate (CID 175248298) is (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate.
What is the SMILES notation for (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
The canonical SMILES for (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate is CC1(OC(=O)c2ccoc2)OCCO1.
What is the InChIKey of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
The InChIKey is CGQHVOOMDMHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-9(12-4-5-13-9)14-8(10)7-2-3-11-6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate has a molecular weight of 198.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate is sourced from PubChem (CID 175248298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).