methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate

C10H16O3 — CID 135045330

IUPACmethyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(C)C1(C)C
InChIInChI=1S/C10H16O3/c1-6-8(9(11)12-5)10(3,4)7(2)13-6/h7H,1-5H3
InChIKeyFKWASTSJGRYHKQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds1

About methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate

methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate (PubChem CID 135045330) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate
PubChem CID135045330
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(C)C1(C)C
InChIInChI=1S/C10H16O3/c1-6-8(9(11)12-5)10(3,4)7(2)13-6/h7H,1-5H3
InChIKeyFKWASTSJGRYHKQ-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate?
The IUPAC name of methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate (CID 135045330) is methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate.
What is the SMILES notation for methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate?
The canonical SMILES for methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate is COC(=O)C1=C(C)OC(C)C1(C)C.
What is the InChIKey of methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate?
The InChIKey is FKWASTSJGRYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-8(9(11)12-5)10(3,4)7(2)13-6/h7H,1-5H3.
What are the key properties of methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate?
methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate is sourced from PubChem (CID 135045330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).