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

C11H16O4 — CID 19877220

IUPAC3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)CC2(CC(C)(C)C(=O)O2)OC1=O
InChIInChI=1S/C11H16O4/c1-9(2)5-11(14-7(9)12)6-10(3,4)8(13)15-11/h5-6H2,1-4H3
InChIKeyDPPAWJANQDYDQZ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.63
Rot. Bonds

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

3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (PubChem CID 19877220) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
PubChem CID19877220
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)CC2(CC(C)(C)C(=O)O2)OC1=O
InChIInChI=1S/C11H16O4/c1-9(2)5-11(14-7(9)12)6-10(3,4)8(13)15-11/h5-6H2,1-4H3
InChIKeyDPPAWJANQDYDQZ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (CID 19877220) is 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is CC1(C)CC2(CC(C)(C)C(=O)O2)OC1=O.
What is the InChIKey of 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The InChIKey is DPPAWJANQDYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-9(2)5-11(14-7(9)12)6-10(3,4)8(13)15-11/h5-6H2,1-4H3.
What are the key properties of 3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione has a molecular weight of 212.24 g/mol, XLogP of 1.63, 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-1,6-dioxaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 19877220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).