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

C12H18O3 — CID 70600214

IUPAC1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone
SMILESCC(=O)C1=CCC2(CC1(C)C)OCCO2
InChIInChI=1S/C12H18O3/c1-9(13)10-4-5-12(8-11(10,2)3)14-6-7-15-12/h4H,5-8H2,1-3H3
InChIKeyOHYXRTWKZWPFJF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds1

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

1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone (PubChem CID 70600214) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone
PubChem CID70600214
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone
SMILESCC(=O)C1=CCC2(CC1(C)C)OCCO2
InChIInChI=1S/C12H18O3/c1-9(13)10-4-5-12(8-11(10,2)3)14-6-7-15-12/h4H,5-8H2,1-3H3
InChIKeyOHYXRTWKZWPFJF-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone?
The IUPAC name of 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone (CID 70600214) is 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone.
What is the SMILES notation for 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone?
The canonical SMILES for 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone is CC(=O)C1=CCC2(CC1(C)C)OCCO2.
What is the InChIKey of 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone?
The InChIKey is OHYXRTWKZWPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(13)10-4-5-12(8-11(10,2)3)14-6-7-15-12/h4H,5-8H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone?
1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone has a molecular weight of 210.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)ethanone is sourced from PubChem (CID 70600214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).