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

C15H18O3 — CID 101119844

IUPAC7-benzyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1Cc1ccccc1)OCCO2
InChIInChI=1S/C15H18O3/c16-14-6-7-15(17-8-9-18-15)11-13(14)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyOLHPSEDABOUYEU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds2

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

7-benzyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 101119844) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7-benzyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID101119844
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name7-benzyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1Cc1ccccc1)OCCO2
InChIInChI=1S/C15H18O3/c16-14-6-7-15(17-8-9-18-15)11-13(14)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyOLHPSEDABOUYEU-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one (CID 101119844) is 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one is O=C1CCC2(CC1Cc1ccccc1)OCCO2.
What is the InChIKey of 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is OLHPSEDABOUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-14-6-7-15(17-8-9-18-15)11-13(14)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one?
7-benzyl-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 246.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 101119844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).