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

C7H8O3 — CID 14715040

IUPAC2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=CC2(OCCO2)C1=O
InChIInChI=1S/C7H8O3/c1-5-4-7(6(5)8)9-2-3-10-7/h4H,2-3H2,1H3
InChIKeyIHMXDVDFORYRFK-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.26
Rot. Bonds

About 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14715040) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14715040
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=CC2(OCCO2)C1=O
InChIInChI=1S/C7H8O3/c1-5-4-7(6(5)8)9-2-3-10-7/h4H,2-3H2,1H3
InChIKeyIHMXDVDFORYRFK-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14715040) is 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is CC1=CC2(OCCO2)C1=O.
What is the InChIKey of 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is IHMXDVDFORYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-4-7(6(5)8)9-2-3-10-7/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-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 2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14715040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).