7-methyl-2,5,9-trioxaspiro[3.5]nonane

C7H12O3 — CID 59269738

IUPAC7-methyl-2,5,9-trioxaspiro[3.5]nonane
SMILESCC1COC2(COC2)OC1
InChIInChI=1S/C7H12O3/c1-6-2-9-7(10-3-6)4-8-5-7/h6H,2-5H2,1H3
InChIKeyMQOIBXBHVRUCDF-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.40
Rot. Bonds

About 7-methyl-2,5,9-trioxaspiro[3.5]nonane

7-methyl-2,5,9-trioxaspiro[3.5]nonane (PubChem CID 59269738) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 7-methyl-2,5,9-trioxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2,5,9-trioxaspiro[3.5]nonane
PubChem CID59269738
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name7-methyl-2,5,9-trioxaspiro[3.5]nonane
SMILESCC1COC2(COC2)OC1
InChIInChI=1S/C7H12O3/c1-6-2-9-7(10-3-6)4-8-5-7/h6H,2-5H2,1H3
InChIKeyMQOIBXBHVRUCDF-UHFFFAOYSA-N
XLogP0.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,5,9-trioxaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2,5,9-trioxaspiro[3.5]nonane (CID 59269738) is 7-methyl-2,5,9-trioxaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2,5,9-trioxaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2,5,9-trioxaspiro[3.5]nonane is CC1COC2(COC2)OC1.
What is the InChIKey of 7-methyl-2,5,9-trioxaspiro[3.5]nonane?
The InChIKey is MQOIBXBHVRUCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6-2-9-7(10-3-6)4-8-5-7/h6H,2-5H2,1H3.
What are the key properties of 7-methyl-2,5,9-trioxaspiro[3.5]nonane?
7-methyl-2,5,9-trioxaspiro[3.5]nonane has a molecular weight of 144.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,5,9-trioxaspiro[3.5]nonane is sourced from PubChem (CID 59269738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).