3,8-dimethyl-1,4-dioxaspiro[4.4]nonane

C9H16O2 — CID 143310462

IUPAC3,8-dimethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CCC2(C1)OCC(C)O2
InChIInChI=1S/C9H16O2/c1-7-3-4-9(5-7)10-6-8(2)11-9/h7-8H,3-6H2,1-2H3
InChIKeyPGIYKKFZHAMMGZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.94
Rot. Bonds

About 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane

3,8-dimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 143310462) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name3,8-dimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID143310462
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3,8-dimethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CCC2(C1)OCC(C)O2
InChIInChI=1S/C9H16O2/c1-7-3-4-9(5-7)10-6-8(2)11-9/h7-8H,3-6H2,1-2H3
InChIKeyPGIYKKFZHAMMGZ-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane (CID 143310462) is 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane is CC1CCC2(C1)OCC(C)O2.
What is the InChIKey of 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is PGIYKKFZHAMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-3-4-9(5-7)10-6-8(2)11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane?
3,8-dimethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 156.22 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 143310462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).