4,7-dioxaspiro[2.6]nonane

C7H12O2 — CID 118210447

IUPAC4,7-dioxaspiro[2.6]nonane
SMILESC1COC2(CCO1)CC2
InChIInChI=1S/C7H12O2/c1-2-7(1)3-4-8-5-6-9-7/h1-6H2
InChIKeyQKMXHCJTCDOGJJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.96
Rot. Bonds

About 4,7-dioxaspiro[2.6]nonane

4,7-dioxaspiro[2.6]nonane (PubChem CID 118210447) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4,7-dioxaspiro[2.6]nonane.

Molecular Properties

Compound Name4,7-dioxaspiro[2.6]nonane
PubChem CID118210447
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4,7-dioxaspiro[2.6]nonane
SMILESC1COC2(CCO1)CC2
InChIInChI=1S/C7H12O2/c1-2-7(1)3-4-8-5-6-9-7/h1-6H2
InChIKeyQKMXHCJTCDOGJJ-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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Related Compounds

6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694
1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
5,8-dioxa-2-thiaspiro[3.7]undecane
CID 118210825
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
4-iodo-1,9-dioxaspiro[5.5]undecane
CID 79923455
1,4-dioxane
CID 161483686
methanol;4-oxaspiro[2.4]heptane
CID 144744375
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide
CID 79920073
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
1,9-dioxaspiro[5.5]undecane-4-carbonitrile
CID 79903637
O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894333

Frequently Asked Questions

What is the IUPAC name of 4,7-dioxaspiro[2.6]nonane?
The IUPAC name of 4,7-dioxaspiro[2.6]nonane (CID 118210447) is 4,7-dioxaspiro[2.6]nonane.
What is the SMILES notation for 4,7-dioxaspiro[2.6]nonane?
The canonical SMILES for 4,7-dioxaspiro[2.6]nonane is C1COC2(CCO1)CC2.
What is the InChIKey of 4,7-dioxaspiro[2.6]nonane?
The InChIKey is QKMXHCJTCDOGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-7(1)3-4-8-5-6-9-7/h1-6H2.
What are the key properties of 4,7-dioxaspiro[2.6]nonane?
4,7-dioxaspiro[2.6]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 4,7-dioxaspiro[2.6]nonane is sourced from PubChem (CID 118210447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).