1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone

C10H14O3 — CID 14165944

IUPAC1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone
SMILESCC(=O)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O3/c1-8(11)9-2-4-10(5-3-9)12-6-7-13-10/h2H,3-7H2,1H3
InChIKeyVKNUGMHPVXDEJF-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone

1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone (PubChem CID 14165944) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone
PubChem CID14165944
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone
SMILESCC(=O)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O3/c1-8(11)9-2-4-10(5-3-9)12-6-7-13-10/h2H,3-7H2,1H3
InChIKeyVKNUGMHPVXDEJF-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone (CID 14165944) is 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone is CC(=O)C1=CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone?
The InChIKey is VKNUGMHPVXDEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(11)9-2-4-10(5-3-9)12-6-7-13-10/h2H,3-7H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone?
1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanone is sourced from PubChem (CID 14165944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).