1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

C7H8O3 — CID 14715039

IUPAC1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=CC(=O)C12OCCO2
InChIInChI=1S/C7H8O3/c1-5-4-6(8)7(5)9-2-3-10-7/h4H,2-3H2,1H3
InChIKeyGVFFOGZLLRZVGH-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.26
Rot. Bonds

About 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14715039) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14715039
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=CC(=O)C12OCCO2
InChIInChI=1S/C7H8O3/c1-5-4-6(8)7(5)9-2-3-10-7/h4H,2-3H2,1H3
InChIKeyGVFFOGZLLRZVGH-UHFFFAOYSA-N
XLogP0.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
CID 162401657
2-Methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715040
1-Tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715041
1-[(E)-hex-1-enyl]-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14737856
1,2-Dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 45083077
7,10-Dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one
CID 51050608

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14715039) is 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is CC1=CC(=O)C12OCCO2.
What is the InChIKey of 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is GVFFOGZLLRZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-4-6(8)7(5)9-2-3-10-7/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 140.14 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14715039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).