(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone

C16H24O3 — CID 115814061

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)C2CC(C)(C)OC2(C)C)c1C
InChIInChI=1S/C16H24O3/c1-9-10(2)18-11(3)13(9)14(17)12-8-15(4,5)19-16(12,6)7/h12H,8H2,1-7H3
InChIKeyNPQKHJDLIBGOEU-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.98
Rot. Bonds2

About (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone

(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 115814061) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID115814061
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)C2CC(C)(C)OC2(C)C)c1C
InChIInChI=1S/C16H24O3/c1-9-10(2)18-11(3)13(9)14(17)12-8-15(4,5)19-16(12,6)7/h12H,8H2,1-7H3
InChIKeyNPQKHJDLIBGOEU-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 115814061) is (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)C2CC(C)(C)OC2(C)C)c1C.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is NPQKHJDLIBGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-9-10(2)18-11(3)13(9)14(17)12-8-15(4,5)19-16(12,6)7/h12H,8H2,1-7H3.
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 264.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 115814061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).