6-methoxy-2-oxaspiro[3.3]heptane

C7H12O2 — CID 90127740

IUPAC6-methoxy-2-oxaspiro[3.3]heptane
SMILESCOC1CC2(COC2)C1
InChIInChI=1S/C7H12O2/c1-8-6-2-7(3-6)4-9-5-7/h6H,2-5H2,1H3
InChIKeyBUNGWXWBSRHTKL-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.81
Rot. Bonds1

About 6-methoxy-2-oxaspiro[3.3]heptane

6-methoxy-2-oxaspiro[3.3]heptane (PubChem CID 90127740) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-methoxy-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methoxy-2-oxaspiro[3.3]heptane
PubChem CID90127740
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6-methoxy-2-oxaspiro[3.3]heptane
SMILESCOC1CC2(COC2)C1
InChIInChI=1S/C7H12O2/c1-8-6-2-7(3-6)4-9-5-7/h6H,2-5H2,1H3
InChIKeyBUNGWXWBSRHTKL-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxaspiro[3.3]heptane?
The IUPAC name of 6-methoxy-2-oxaspiro[3.3]heptane (CID 90127740) is 6-methoxy-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 6-methoxy-2-oxaspiro[3.3]heptane?
The canonical SMILES for 6-methoxy-2-oxaspiro[3.3]heptane is COC1CC2(COC2)C1.
What is the InChIKey of 6-methoxy-2-oxaspiro[3.3]heptane?
The InChIKey is BUNGWXWBSRHTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-8-6-2-7(3-6)4-9-5-7/h6H,2-5H2,1H3.
What are the key properties of 6-methoxy-2-oxaspiro[3.3]heptane?
6-methoxy-2-oxaspiro[3.3]heptane has a molecular weight of 128.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 90127740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).