2-ethyl-1,6-dioxaspiro[4.4]nonane

C9H16O2 — CID 581383

IUPAC2-ethyl-1,6-dioxaspiro[4.4]nonane
SMILESCCC1CCC2(CCCO2)O1
InChIInChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3
InChIKeyDCWKALWZHORJAO-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.08
Rot. Bonds1

About 2-ethyl-1,6-dioxaspiro[4.4]nonane

2-ethyl-1,6-dioxaspiro[4.4]nonane (PubChem CID 581383) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-ethyl-1,6-dioxaspiro[4.4]nonane
PubChem CID581383
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethyl-1,6-dioxaspiro[4.4]nonane
SMILESCCC1CCC2(CCCO2)O1
InChIInChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3
InChIKeyDCWKALWZHORJAO-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of 2-ethyl-1,6-dioxaspiro[4.4]nonane (CID 581383) is 2-ethyl-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-ethyl-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-ethyl-1,6-dioxaspiro[4.4]nonane is CCC1CCC2(CCCO2)O1.
What is the InChIKey of 2-ethyl-1,6-dioxaspiro[4.4]nonane?
The InChIKey is DCWKALWZHORJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3.
What are the key properties of 2-ethyl-1,6-dioxaspiro[4.4]nonane?
2-ethyl-1,6-dioxaspiro[4.4]nonane has a molecular weight of 156.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 581383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).