3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

C11H16O4 — CID 738282

IUPAC3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
SMILESCC1(C)CC2(CC(C)(C)OC2=O)C(=O)O1
InChIInChI=1S/C11H16O4/c1-9(2)5-11(7(12)14-9)6-10(3,4)15-8(11)13/h5-6H2,1-4H3
InChIKeyIONYILFUJPGGFI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.42
Rot. Bonds

About 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione (PubChem CID 738282) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione.

Molecular Properties

Compound Name3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
PubChem CID738282
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
SMILESCC1(C)CC2(CC(C)(C)OC2=O)C(=O)O1
InChIInChI=1S/C11H16O4/c1-9(2)5-11(7(12)14-9)6-10(3,4)15-8(11)13/h5-6H2,1-4H3
InChIKeyIONYILFUJPGGFI-UHFFFAOYSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?
The IUPAC name of 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione (CID 738282) is 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione.
What is the SMILES notation for 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?
The canonical SMILES for 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione is CC1(C)CC2(CC(C)(C)OC2=O)C(=O)O1.
What is the InChIKey of 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?
The InChIKey is IONYILFUJPGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-9(2)5-11(7(12)14-9)6-10(3,4)15-8(11)13/h5-6H2,1-4H3.
What are the key properties of 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione?
3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione has a molecular weight of 212.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione is sourced from PubChem (CID 738282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).