1,7-dioxaspiro[3.5]nonane

C7H12O2 — CID 118210373

IUPAC1,7-dioxaspiro[3.5]nonane
SMILESC1CC2(CCO1)CCO2
InChIInChI=1S/C7H12O2/c1-4-8-5-2-7(1)3-6-9-7/h1-6H2
InChIKeyUOIFGNYCHFPJCX-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.96
Rot. Bonds

About 1,7-dioxaspiro[3.5]nonane

1,7-dioxaspiro[3.5]nonane (PubChem CID 118210373) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,7-dioxaspiro[3.5]nonane.

Molecular Properties

Compound Name1,7-dioxaspiro[3.5]nonane
PubChem CID118210373
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1,7-dioxaspiro[3.5]nonane
SMILESC1CC2(CCO1)CCO2
InChIInChI=1S/C7H12O2/c1-4-8-5-2-7(1)3-6-9-7/h1-6H2
InChIKeyUOIFGNYCHFPJCX-UHFFFAOYSA-N
XLogP0.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dioxaspiro[3.5]nonane?
The IUPAC name of 1,7-dioxaspiro[3.5]nonane (CID 118210373) is 1,7-dioxaspiro[3.5]nonane.
What is the SMILES notation for 1,7-dioxaspiro[3.5]nonane?
The canonical SMILES for 1,7-dioxaspiro[3.5]nonane is C1CC2(CCO1)CCO2.
What is the InChIKey of 1,7-dioxaspiro[3.5]nonane?
The InChIKey is UOIFGNYCHFPJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-8-5-2-7(1)3-6-9-7/h1-6H2.
What are the key properties of 1,7-dioxaspiro[3.5]nonane?
1,7-dioxaspiro[3.5]nonane has a molecular weight of 128.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxaspiro[3.5]nonane is sourced from PubChem (CID 118210373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).