(2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate

C14H20O4 — CID 97337142

IUPAC(2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate
SMILESCc1cc(COC(=O)[C@@H]2CCO[C@H](C)C2)c(C)o1
InChIInChI=1S/C14H20O4/c1-9-6-12(4-5-16-9)14(15)17-8-13-7-10(2)18-11(13)3/h7,9,12H,4-6,8H2,1-3H3/t9-,12-/m1/s1
InChIKeyOUKPPNBPJIVCFP-BXKDBHETSA-N
MW252.31 g/mol
LogP2.75
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate

(2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate (PubChem CID 97337142) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate
PubChem CID97337142
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate
SMILESCc1cc(COC(=O)[C@@H]2CCO[C@H](C)C2)c(C)o1
InChIInChI=1S/C14H20O4/c1-9-6-12(4-5-16-9)14(15)17-8-13-7-10(2)18-11(13)3/h7,9,12H,4-6,8H2,1-3H3/t9-,12-/m1/s1
InChIKeyOUKPPNBPJIVCFP-BXKDBHETSA-N
XLogP2.75
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-methyloxane-4-carboxylate
CID 131105017
2-methyloxane-4-carboxylic acid
CID 3729256
cyano 2-methyloxane-4-carboxylate
CID 123726921
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
9-(2-methyloxane-4-carbonyl)oxynonyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 89152052
[4-[(2-methyloxane-4-carbonyl)oxymethyl]cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 118214226
3-(2-methyloxane-4-carbonyl)oxypropyl 9-oxabicyclo[6.1.0]nonane-4-carboxylate
CID 134513865
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003
N-ethoxy-2-methyloxane-4-carboxamide
CID 131133773
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
ethyl 5-methyloxolane-3-carboxylate
CID 114826154
[2-(2,2,4,4,5,5-hexamethylhexan-3-yloxy)-2-oxoethyl] 2-methyloxane-4-carboxylate
CID 90969614

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate?
The IUPAC name of (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate (CID 97337142) is (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate?
The canonical SMILES for (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate is Cc1cc(COC(=O)[C@@H]2CCO[C@H](C)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate?
The InChIKey is OUKPPNBPJIVCFP-BXKDBHETSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-6-12(4-5-16-9)14(15)17-8-13-7-10(2)18-11(13)3/h7,9,12H,4-6,8H2,1-3H3/t9-,12-/m1/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate?
(2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)methyl (2R,4R)-2-methyloxane-4-carboxylate is sourced from PubChem (CID 97337142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).