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

C15H22O4 — CID 131752982

IUPAC4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
SMILESCC(C)CC(=O)CC1(C)CCC(C2=CCOC2=O)O1
InChIInChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3
InChIKeyWZUJTFLPWFXBST-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.41
Rot. Bonds5

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

4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one (PubChem CID 131752982) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
PubChem CID131752982
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
SMILESCC(C)CC(=O)CC1(C)CCC(C2=CCOC2=O)O1
InChIInChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3
InChIKeyWZUJTFLPWFXBST-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
The IUPAC name of 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one (CID 131752982) is 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one is CC(C)CC(=O)CC1(C)CCC(C2=CCOC2=O)O1.
What is the InChIKey of 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
The InChIKey is WZUJTFLPWFXBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3.
What are the key properties of 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one?
4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 131752982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).