3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane

C9H16O4 — CID 89099466

IUPAC3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane
SMILESCC1(C)COC2(COCOC2)OC1
InChIInChI=1S/C9H16O4/c1-8(2)3-12-9(13-4-8)5-10-7-11-6-9/h3-7H2,1-2H3
InChIKeyCRJPZPUXPLSPGV-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.76
Rot. Bonds

About 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane

3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 89099466) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane
PubChem CID89099466
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane
SMILESCC1(C)COC2(COCOC2)OC1
InChIInChI=1S/C9H16O4/c1-8(2)3-12-9(13-4-8)5-10-7-11-6-9/h3-7H2,1-2H3
InChIKeyCRJPZPUXPLSPGV-UHFFFAOYSA-N
XLogP0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane (CID 89099466) is 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane is CC1(C)COC2(COCOC2)OC1.
What is the InChIKey of 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is CRJPZPUXPLSPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-8(2)3-12-9(13-4-8)5-10-7-11-6-9/h3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane?
3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 188.22 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 89099466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).