8-methyl-2-oxaspiro[4.5]decane-1,3-dione

C10H14O3 — CID 11830062

IUPAC8-methyl-2-oxaspiro[4.5]decane-1,3-dione
SMILESCC1CCC2(CC1)CC(=O)OC2=O
InChIInChI=1S/C10H14O3/c1-7-2-4-10(5-3-7)6-8(11)13-9(10)12/h7H,2-6H2,1H3
InChIKeyBTFOGAVXIUTGGN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.66
Rot. Bonds

About 8-methyl-2-oxaspiro[4.5]decane-1,3-dione

8-methyl-2-oxaspiro[4.5]decane-1,3-dione (PubChem CID 11830062) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-methyl-2-oxaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-methyl-2-oxaspiro[4.5]decane-1,3-dione
PubChem CID11830062
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name8-methyl-2-oxaspiro[4.5]decane-1,3-dione
SMILESCC1CCC2(CC1)CC(=O)OC2=O
InChIInChI=1S/C10H14O3/c1-7-2-4-10(5-3-7)6-8(11)13-9(10)12/h7H,2-6H2,1H3
InChIKeyBTFOGAVXIUTGGN-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-methyl-2-oxaspiro[4.5]decane-1,3-dione (CID 11830062) is 8-methyl-2-oxaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-methyl-2-oxaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-methyl-2-oxaspiro[4.5]decane-1,3-dione is CC1CCC2(CC1)CC(=O)OC2=O.
What is the InChIKey of 8-methyl-2-oxaspiro[4.5]decane-1,3-dione?
The InChIKey is BTFOGAVXIUTGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-2-4-10(5-3-7)6-8(11)13-9(10)12/h7H,2-6H2,1H3.
What are the key properties of 8-methyl-2-oxaspiro[4.5]decane-1,3-dione?
8-methyl-2-oxaspiro[4.5]decane-1,3-dione has a molecular weight of 182.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 11830062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).