10-methyl-1-oxaspiro[5.5]undecane-2,4-dione

C11H16O3 — CID 19912131

IUPAC10-methyl-1-oxaspiro[5.5]undecane-2,4-dione
SMILESCC1CCCC2(CC(=O)CC(=O)O2)C1
InChIInChI=1S/C11H16O3/c1-8-3-2-4-11(6-8)7-9(12)5-10(13)14-11/h8H,2-7H2,1H3
InChIKeyYXTYYQWOOFTFKH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.84
Rot. Bonds

About 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione

10-methyl-1-oxaspiro[5.5]undecane-2,4-dione (PubChem CID 19912131) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name10-methyl-1-oxaspiro[5.5]undecane-2,4-dione
PubChem CID19912131
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name10-methyl-1-oxaspiro[5.5]undecane-2,4-dione
SMILESCC1CCCC2(CC(=O)CC(=O)O2)C1
InChIInChI=1S/C11H16O3/c1-8-3-2-4-11(6-8)7-9(12)5-10(13)14-11/h8H,2-7H2,1H3
InChIKeyYXTYYQWOOFTFKH-UHFFFAOYSA-N
XLogP1.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.84
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 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione (CID 19912131) is 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione is CC1CCCC2(CC(=O)CC(=O)O2)C1.
What is the InChIKey of 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione?
The InChIKey is YXTYYQWOOFTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-3-2-4-11(6-8)7-9(12)5-10(13)14-11/h8H,2-7H2,1H3.
What are the key properties of 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione?
10-methyl-1-oxaspiro[5.5]undecane-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1-oxaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 19912131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).