6-methyl-1-oxaspiro[4.5]dec-3-en-2-one

C10H14O2 — CID 72795950

IUPAC6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC1CCCCC12C=CC(=O)O2
InChIInChI=1S/C10H14O2/c1-8-4-2-3-6-10(8)7-5-9(11)12-10/h5,7-8H,2-4,6H2,1H3
InChIKeyGSJOMACZCFSKPB-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds

About 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one

6-methyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 72795950) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID72795950
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC1CCCCC12C=CC(=O)O2
InChIInChI=1S/C10H14O2/c1-8-4-2-3-6-10(8)7-5-9(11)12-10/h5,7-8H,2-4,6H2,1H3
InChIKeyGSJOMACZCFSKPB-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 72795950) is 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one is CC1CCCCC12C=CC(=O)O2.
What is the InChIKey of 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is GSJOMACZCFSKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-2-3-6-10(8)7-5-9(11)12-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
6-methyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 72795950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).