7-phenyl-1,4-dioxaspiro[4.5]decan-8-one

C14H16O3 — CID 58075535

IUPAC7-phenyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C14H16O3/c15-13-6-7-14(16-8-9-17-14)10-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCTWUYMLCIXRCHN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds1

About 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one

7-phenyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 58075535) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7-phenyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID58075535
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name7-phenyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C14H16O3/c15-13-6-7-14(16-8-9-17-14)10-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCTWUYMLCIXRCHN-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one (CID 58075535) is 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one is O=C1CCC2(CC1c1ccccc1)OCCO2.
What is the InChIKey of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is CTWUYMLCIXRCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13-6-7-14(16-8-9-17-14)10-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
7-phenyl-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 232.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 58075535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).