5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one

C15H18O6 — CID 146262718

IUPAC5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one
SMILESCC1OC(=O)CC1C1(C)CC(C2(C)C=CC(=O)O2)C(=O)O1
InChIInChI=1S/C15H18O6/c1-8-9(6-12(17)19-8)15(3)7-10(13(18)21-15)14(2)5-4-11(16)20-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCPHILPBNKKNKSJ-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.13
Rot. Bonds2

About 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one

5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one (PubChem CID 146262718) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one.

Molecular Properties

Compound Name5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one
PubChem CID146262718
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one
SMILESCC1OC(=O)CC1C1(C)CC(C2(C)C=CC(=O)O2)C(=O)O1
InChIInChI=1S/C15H18O6/c1-8-9(6-12(17)19-8)15(3)7-10(13(18)21-15)14(2)5-4-11(16)20-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCPHILPBNKKNKSJ-UHFFFAOYSA-N
XLogP1.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one?
The IUPAC name of 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one (CID 146262718) is 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one.
What is the SMILES notation for 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one?
The canonical SMILES for 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one is CC1OC(=O)CC1C1(C)CC(C2(C)C=CC(=O)O2)C(=O)O1.
What is the InChIKey of 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one?
The InChIKey is CPHILPBNKKNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-8-9(6-12(17)19-8)15(3)7-10(13(18)21-15)14(2)5-4-11(16)20-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one?
5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one has a molecular weight of 294.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one is sourced from PubChem (CID 146262718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).