1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one

C15H20O3 — CID 102370086

IUPAC1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
SMILESO=C(CCc1ccccc1)CCC1OCCCO1
InChIInChI=1S/C15H20O3/c16-14(8-7-13-5-2-1-3-6-13)9-10-15-17-11-4-12-18-15/h1-3,5-6,15H,4,7-12H2
InChIKeyXEQFNYKXEXMKTG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.73
Rot. Bonds6

About 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one

1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one (PubChem CID 102370086) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one.

Molecular Properties

Compound Name1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
PubChem CID102370086
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
SMILESO=C(CCc1ccccc1)CCC1OCCCO1
InChIInChI=1S/C15H20O3/c16-14(8-7-13-5-2-1-3-6-13)9-10-15-17-11-4-12-18-15/h1-3,5-6,15H,4,7-12H2
InChIKeyXEQFNYKXEXMKTG-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one?
The IUPAC name of 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one (CID 102370086) is 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one.
What is the SMILES notation for 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one?
The canonical SMILES for 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one is O=C(CCc1ccccc1)CCC1OCCCO1.
What is the InChIKey of 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one?
The InChIKey is XEQFNYKXEXMKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-14(8-7-13-5-2-1-3-6-13)9-10-15-17-11-4-12-18-15/h1-3,5-6,15H,4,7-12H2.
What are the key properties of 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one?
1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one has a molecular weight of 248.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one is sourced from PubChem (CID 102370086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).