6-methoxy-6-methyl-5-oxaspiro[2.4]heptane

C8H14O2 — CID 12613540

IUPAC6-methoxy-6-methyl-5-oxaspiro[2.4]heptane
SMILESCOC1(C)CC2(CC2)CO1
InChIInChI=1S/C8H14O2/c1-7(9-2)5-8(3-4-8)6-10-7/h3-6H2,1-2H3
InChIKeyHJPYMTRHMRERCU-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.55
Rot. Bonds1

About 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane

6-methoxy-6-methyl-5-oxaspiro[2.4]heptane (PubChem CID 12613540) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name6-methoxy-6-methyl-5-oxaspiro[2.4]heptane
PubChem CID12613540
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-methoxy-6-methyl-5-oxaspiro[2.4]heptane
SMILESCOC1(C)CC2(CC2)CO1
InChIInChI=1S/C8H14O2/c1-7(9-2)5-8(3-4-8)6-10-7/h3-6H2,1-2H3
InChIKeyHJPYMTRHMRERCU-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane?
The IUPAC name of 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane (CID 12613540) is 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane.
What is the SMILES notation for 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane?
The canonical SMILES for 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane is COC1(C)CC2(CC2)CO1.
What is the InChIKey of 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane?
The InChIKey is HJPYMTRHMRERCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9-2)5-8(3-4-8)6-10-7/h3-6H2,1-2H3.
What are the key properties of 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane?
6-methoxy-6-methyl-5-oxaspiro[2.4]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-5-oxaspiro[2.4]heptane is sourced from PubChem (CID 12613540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).