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

C11H20O2 — CID 89129081

IUPAC1,3-diethyl-2,7-dioxaspiro[4.4]nonane
SMILESCCC1CC2(CCOC2)C(CC)O1
InChIInChI=1S/C11H20O2/c1-3-9-7-11(5-6-12-8-11)10(4-2)13-9/h9-10H,3-8H2,1-2H3
InChIKeyGBWTVYNNWKVGDP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds2

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

1,3-diethyl-2,7-dioxaspiro[4.4]nonane (PubChem CID 89129081) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,3-diethyl-2,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name1,3-diethyl-2,7-dioxaspiro[4.4]nonane
PubChem CID89129081
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1,3-diethyl-2,7-dioxaspiro[4.4]nonane
SMILESCCC1CC2(CCOC2)C(CC)O1
InChIInChI=1S/C11H20O2/c1-3-9-7-11(5-6-12-8-11)10(4-2)13-9/h9-10H,3-8H2,1-2H3
InChIKeyGBWTVYNNWKVGDP-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2,7-dioxaspiro[4.4]nonane?
The IUPAC name of 1,3-diethyl-2,7-dioxaspiro[4.4]nonane (CID 89129081) is 1,3-diethyl-2,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 1,3-diethyl-2,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 1,3-diethyl-2,7-dioxaspiro[4.4]nonane is CCC1CC2(CCOC2)C(CC)O1.
What is the InChIKey of 1,3-diethyl-2,7-dioxaspiro[4.4]nonane?
The InChIKey is GBWTVYNNWKVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-9-7-11(5-6-12-8-11)10(4-2)13-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-diethyl-2,7-dioxaspiro[4.4]nonane?
1,3-diethyl-2,7-dioxaspiro[4.4]nonane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 89129081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).