2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one

C17H26O5 — CID 91044907

IUPAC2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
SMILESCCOC1C=C(C2CCC(C)(CC(=O)CC(C)C)O2)C(=O)O1
InChIInChI=1S/C17H26O5/c1-5-20-15-9-13(16(19)21-15)14-6-7-17(4,22-14)10-12(18)8-11(2)3/h9,11,14-15H,5-8,10H2,1-4H3
InChIKeyRQMPOGJHOUYDEW-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.78
Rot. Bonds7

About 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one

2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one (PubChem CID 91044907) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
PubChem CID91044907
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
SMILESCCOC1C=C(C2CCC(C)(CC(=O)CC(C)C)O2)C(=O)O1
InChIInChI=1S/C17H26O5/c1-5-20-15-9-13(16(19)21-15)14-6-7-17(4,22-14)10-12(18)8-11(2)3/h9,11,14-15H,5-8,10H2,1-4H3
InChIKeyRQMPOGJHOUYDEW-UHFFFAOYSA-N
XLogP2.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
The IUPAC name of 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one (CID 91044907) is 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one is CCOC1C=C(C2CCC(C)(CC(=O)CC(C)C)O2)C(=O)O1.
What is the InChIKey of 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
The InChIKey is RQMPOGJHOUYDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-5-20-15-9-13(16(19)21-15)14-6-7-17(4,22-14)10-12(18)8-11(2)3/h9,11,14-15H,5-8,10H2,1-4H3.
What are the key properties of 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one has a molecular weight of 310.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 91044907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).