4-methyl-1-oxaspiro[2.5]octan-6-one

C8H12O2 — CID 88923471

IUPAC4-methyl-1-oxaspiro[2.5]octan-6-one
SMILESCC1CC(=O)CCC12CO2
InChIInChI=1S/C8H12O2/c1-6-4-7(9)2-3-8(6)5-10-8/h6H,2-5H2,1H3
InChIKeyVSVWTDOBNXLKSB-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.14
Rot. Bonds

About 4-methyl-1-oxaspiro[2.5]octan-6-one

4-methyl-1-oxaspiro[2.5]octan-6-one (PubChem CID 88923471) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[2.5]octan-6-one
PubChem CID88923471
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methyl-1-oxaspiro[2.5]octan-6-one
SMILESCC1CC(=O)CCC12CO2
InChIInChI=1S/C8H12O2/c1-6-4-7(9)2-3-8(6)5-10-8/h6H,2-5H2,1H3
InChIKeyVSVWTDOBNXLKSB-UHFFFAOYSA-N
XLogP1.14
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxaspiro[2.5]octan-6-one?
The IUPAC name of 4-methyl-1-oxaspiro[2.5]octan-6-one (CID 88923471) is 4-methyl-1-oxaspiro[2.5]octan-6-one.
What is the SMILES notation for 4-methyl-1-oxaspiro[2.5]octan-6-one?
The canonical SMILES for 4-methyl-1-oxaspiro[2.5]octan-6-one is CC1CC(=O)CCC12CO2.
What is the InChIKey of 4-methyl-1-oxaspiro[2.5]octan-6-one?
The InChIKey is VSVWTDOBNXLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-7(9)2-3-8(6)5-10-8/h6H,2-5H2,1H3.
What are the key properties of 4-methyl-1-oxaspiro[2.5]octan-6-one?
4-methyl-1-oxaspiro[2.5]octan-6-one has a molecular weight of 140.18 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxaspiro[2.5]octan-6-one is sourced from PubChem (CID 88923471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).