oxolan-2-ylmethyl furan-2-carboxylate

C10H12O4 — CID 551325

IUPACoxolan-2-ylmethyl furan-2-carboxylate
SMILESO=C(OCC1CCCO1)c1ccco1
InChIInChI=1S/C10H12O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h2,4,6,8H,1,3,5,7H2
InChIKeyVTGUMPUFLSYIEV-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.62
Rot. Bonds3

About oxolan-2-ylmethyl furan-2-carboxylate

oxolan-2-ylmethyl furan-2-carboxylate (PubChem CID 551325) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is oxolan-2-ylmethyl furan-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl furan-2-carboxylate
PubChem CID551325
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameoxolan-2-ylmethyl furan-2-carboxylate
SMILESO=C(OCC1CCCO1)c1ccco1
InChIInChI=1S/C10H12O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h2,4,6,8H,1,3,5,7H2
InChIKeyVTGUMPUFLSYIEV-UHFFFAOYSA-N
XLogP1.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate
CID 99795689
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
CID 69398677
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl furan-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl furan-2-carboxylate (CID 551325) is oxolan-2-ylmethyl furan-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl furan-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl furan-2-carboxylate is O=C(OCC1CCCO1)c1ccco1.
What is the InChIKey of oxolan-2-ylmethyl furan-2-carboxylate?
The InChIKey is VTGUMPUFLSYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h2,4,6,8H,1,3,5,7H2.
What are the key properties of oxolan-2-ylmethyl furan-2-carboxylate?
oxolan-2-ylmethyl furan-2-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl furan-2-carboxylate is sourced from PubChem (CID 551325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).