5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one

C11H18O4 — CID 86157375

IUPAC5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one
SMILESCCOC1(COC(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C11H18O4/c1-5-13-11(7-6-9(12)15-11)8-14-10(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyFNLPOIWQEBHHJQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds4

About 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one

5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one (PubChem CID 86157375) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one.

Molecular Properties

Compound Name5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one
PubChem CID86157375
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one
SMILESCCOC1(COC(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C11H18O4/c1-5-13-11(7-6-9(12)15-11)8-14-10(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyFNLPOIWQEBHHJQ-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one?
The IUPAC name of 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one (CID 86157375) is 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one.
What is the SMILES notation for 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one?
The canonical SMILES for 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one is CCOC1(COC(C)(C)C)C=CC(=O)O1.
What is the InChIKey of 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one?
The InChIKey is FNLPOIWQEBHHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-13-11(7-6-9(12)15-11)8-14-10(2,3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one?
5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-[(2-methylpropan-2-yl)oxymethyl]furan-2-one is sourced from PubChem (CID 86157375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).