1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one

C13H20O3 — CID 11053303

IUPAC1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
SMILESC=CC1(CC(C)=O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H20O3/c1-3-12(10-11(2)14)4-6-13(7-5-12)15-8-9-16-13/h3H,1,4-10H2,2H3
InChIKeyNFZHDTXKXHMGMM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.45
Rot. Bonds3

About 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one

1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one (PubChem CID 11053303) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
PubChem CID11053303
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
SMILESC=CC1(CC(C)=O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H20O3/c1-3-12(10-11(2)14)4-6-13(7-5-12)15-8-9-16-13/h3H,1,4-10H2,2H3
InChIKeyNFZHDTXKXHMGMM-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The IUPAC name of 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one (CID 11053303) is 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one.
What is the SMILES notation for 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The canonical SMILES for 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one is C=CC1(CC(C)=O)CCC2(CC1)OCCO2.
What is the InChIKey of 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The InChIKey is NFZHDTXKXHMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-12(10-11(2)14)4-6-13(7-5-12)15-8-9-16-13/h3H,1,4-10H2,2H3.
What are the key properties of 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one has a molecular weight of 224.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethenyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one is sourced from PubChem (CID 11053303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).