7-methyl-6-oxaspiro[3.4]octan-5-one

C8H12O2 — CID 54211781

IUPAC7-methyl-6-oxaspiro[3.4]octan-5-one
SMILESCC1CC2(CCC2)C(=O)O1
InChIInChI=1S/C8H12O2/c1-6-5-8(3-2-4-8)7(9)10-6/h6H,2-5H2,1H3
InChIKeyPWLDEEBBZKHUPH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds

About 7-methyl-6-oxaspiro[3.4]octan-5-one

7-methyl-6-oxaspiro[3.4]octan-5-one (PubChem CID 54211781) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 7-methyl-6-oxaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name7-methyl-6-oxaspiro[3.4]octan-5-one
PubChem CID54211781
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name7-methyl-6-oxaspiro[3.4]octan-5-one
SMILESCC1CC2(CCC2)C(=O)O1
InChIInChI=1S/C8H12O2/c1-6-5-8(3-2-4-8)7(9)10-6/h6H,2-5H2,1H3
InChIKeyPWLDEEBBZKHUPH-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxaspiro[3.4]octan-5-one?
The IUPAC name of 7-methyl-6-oxaspiro[3.4]octan-5-one (CID 54211781) is 7-methyl-6-oxaspiro[3.4]octan-5-one.
What is the SMILES notation for 7-methyl-6-oxaspiro[3.4]octan-5-one?
The canonical SMILES for 7-methyl-6-oxaspiro[3.4]octan-5-one is CC1CC2(CCC2)C(=O)O1.
What is the InChIKey of 7-methyl-6-oxaspiro[3.4]octan-5-one?
The InChIKey is PWLDEEBBZKHUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-8(3-2-4-8)7(9)10-6/h6H,2-5H2,1H3.
What are the key properties of 7-methyl-6-oxaspiro[3.4]octan-5-one?
7-methyl-6-oxaspiro[3.4]octan-5-one has a molecular weight of 140.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxaspiro[3.4]octan-5-one is sourced from PubChem (CID 54211781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).