2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol

C8H14O4 — CID 504290

IUPAC2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol
SMILESCC1(C)OCC2(COC(O)C2)O1
InChIInChI=1S/C8H14O4/c1-7(2)11-5-8(12-7)3-6(9)10-4-8/h6,9H,3-5H2,1-2H3
InChIKeyIWVTYKMZAQTICD-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.25
Rot. Bonds

About 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol

2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol (PubChem CID 504290) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol
PubChem CID504290
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol
SMILESCC1(C)OCC2(COC(O)C2)O1
InChIInChI=1S/C8H14O4/c1-7(2)11-5-8(12-7)3-6(9)10-4-8/h6,9H,3-5H2,1-2H3
InChIKeyIWVTYKMZAQTICD-UHFFFAOYSA-N
XLogP0.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol?
The IUPAC name of 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol (CID 504290) is 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol.
What is the SMILES notation for 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol?
The canonical SMILES for 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol is CC1(C)OCC2(COC(O)C2)O1.
What is the InChIKey of 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol?
The InChIKey is IWVTYKMZAQTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(2)11-5-8(12-7)3-6(9)10-4-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol?
2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol has a molecular weight of 174.20 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-ol is sourced from PubChem (CID 504290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).