7,9-diethyl-1,4-dioxaspiro[4.4]nonane

C11H20O2 — CID 58210306

IUPAC7,9-diethyl-1,4-dioxaspiro[4.4]nonane
SMILESCCC1CC(CC)C2(C1)OCCO2
InChIInChI=1S/C11H20O2/c1-3-9-7-10(4-2)11(8-9)12-5-6-13-11/h9-10H,3-8H2,1-2H3
InChIKeyRUQDZOUCPHDIGO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds2

About 7,9-diethyl-1,4-dioxaspiro[4.4]nonane

7,9-diethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 58210306) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7,9-diethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name7,9-diethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID58210306
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7,9-diethyl-1,4-dioxaspiro[4.4]nonane
SMILESCCC1CC(CC)C2(C1)OCCO2
InChIInChI=1S/C11H20O2/c1-3-9-7-10(4-2)11(8-9)12-5-6-13-11/h9-10H,3-8H2,1-2H3
InChIKeyRUQDZOUCPHDIGO-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Ethyl-1,4-dioxaspiro[4.4]nonane
CID 21340990
(7R)-8-[(3R)-3-fluorobutyl]-7-methyl-1,4-dioxaspiro[4.4]nonane
CID 117908064
6,9-Diethyl-1,4-dioxaspiro[4.4]nonane
CID 23533483
7,8-Diethyl-1,4-dioxaspiro[4.4]nonane
CID 130400669
8-Butan-2-yl-1,4-dioxaspiro[4.4]nonane
CID 144633620
(r)-2,2-Ethylenedioxy-10-methyltridecane
CID 13800376
2-Hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922768
1-Ethyl-2-hexyl-4,7-dioxaspiro[2.4]heptane
CID 134986448
2,2-Bis(4-dodecyl)-1,3-dioxolane
CID 146018587
6-Pentyl-1,4-dioxaspiro[4.4]nonane
CID 13113305
6-Methyl-1,4-dioxaspiro[4.11]hexadecane
CID 317521
1,4-Dioxaspiro[4.4]nonane, 7-butyl-(R,R)-2,3-dimethyl-
CID 581554

Frequently Asked Questions

What is the IUPAC name of 7,9-diethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 7,9-diethyl-1,4-dioxaspiro[4.4]nonane (CID 58210306) is 7,9-diethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 7,9-diethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 7,9-diethyl-1,4-dioxaspiro[4.4]nonane is CCC1CC(CC)C2(C1)OCCO2.
What is the InChIKey of 7,9-diethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is RUQDZOUCPHDIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-9-7-10(4-2)11(8-9)12-5-6-13-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 7,9-diethyl-1,4-dioxaspiro[4.4]nonane?
7,9-diethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 184.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 58210306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).