3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one

C15H22O3 — CID 105134916

IUPAC3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
SMILESCC1(C)CC(C(=O)CCc2ccco2)C(C)(C)O1
InChIInChI=1S/C15H22O3/c1-14(2)10-12(15(3,4)18-14)13(16)8-7-11-6-5-9-17-11/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyNSTQMCDIVDSNAA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.38
Rot. Bonds4

About 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one

3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one (PubChem CID 105134916) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
PubChem CID105134916
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
SMILESCC1(C)CC(C(=O)CCc2ccco2)C(C)(C)O1
InChIInChI=1S/C15H22O3/c1-14(2)10-12(15(3,4)18-14)13(16)8-7-11-6-5-9-17-11/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyNSTQMCDIVDSNAA-UHFFFAOYSA-N
XLogP3.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one (CID 105134916) is 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one is CC1(C)CC(C(=O)CCc2ccco2)C(C)(C)O1.
What is the InChIKey of 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
The InChIKey is NSTQMCDIVDSNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)10-12(15(3,4)18-14)13(16)8-7-11-6-5-9-17-11/h5-6,9,12H,7-8,10H2,1-4H3.
What are the key properties of 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one is sourced from PubChem (CID 105134916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).