2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one

C17H22O3 — CID 104844951

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H22O3/c1-13(16(18)14-5-3-2-4-6-14)15-7-9-20-17(11-15)8-10-19-12-17/h2-6,13,15H,7-12H2,1H3
InChIKeyQFNYFMCCBBRBHP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.09
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one

2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one (PubChem CID 104844951) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one
PubChem CID104844951
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H22O3/c1-13(16(18)14-5-3-2-4-6-14)15-7-9-20-17(11-15)8-10-19-12-17/h2-6,13,15H,7-12H2,1H3
InChIKeyQFNYFMCCBBRBHP-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one (CID 104844951) is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one?
The InChIKey is QFNYFMCCBBRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-13(16(18)14-5-3-2-4-6-14)15-7-9-20-17(11-15)8-10-19-12-17/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one?
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 104844951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).