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

C11H16O4 — CID 67903693

IUPAC3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCCC1CC2(CC(CC)C(=O)O2)OC1=O
InChIInChI=1S/C11H16O4/c1-3-7-5-11(14-9(7)12)6-8(4-2)10(13)15-11/h7-8H,3-6H2,1-2H3
InChIKeyFMXOAAIGGGSLRO-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.63
Rot. Bonds2

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

3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (PubChem CID 67903693) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
PubChem CID67903693
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCCC1CC2(CC(CC)C(=O)O2)OC1=O
InChIInChI=1S/C11H16O4/c1-3-7-5-11(14-9(7)12)6-8(4-2)10(13)15-11/h7-8H,3-6H2,1-2H3
InChIKeyFMXOAAIGGGSLRO-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (CID 67903693) is 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is CCC1CC2(CC(CC)C(=O)O2)OC1=O.
What is the InChIKey of 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The InChIKey is FMXOAAIGGGSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-7-5-11(14-9(7)12)6-8(4-2)10(13)15-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione has a molecular weight of 212.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 67903693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).