4-oxaspiro[2.4]heptan-6-ol

C6H10O2 — CID 67296898

IUPAC4-oxaspiro[2.4]heptan-6-ol
SMILESOC1COC2(CC2)C1
InChIInChI=1S/C6H10O2/c7-5-3-6(1-2-6)8-4-5/h5,7H,1-4H2
InChIKeyGEAKSOHRNZXSDG-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.30
Rot. Bonds

About 4-oxaspiro[2.4]heptan-6-ol

4-oxaspiro[2.4]heptan-6-ol (PubChem CID 67296898) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-oxaspiro[2.4]heptan-6-ol.

Molecular Properties

Compound Name4-oxaspiro[2.4]heptan-6-ol
PubChem CID67296898
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-oxaspiro[2.4]heptan-6-ol
SMILESOC1COC2(CC2)C1
InChIInChI=1S/C6H10O2/c7-5-3-6(1-2-6)8-4-5/h5,7H,1-4H2
InChIKeyGEAKSOHRNZXSDG-UHFFFAOYSA-N
XLogP0.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxaspiro[2.4]heptan-6-ol?
The IUPAC name of 4-oxaspiro[2.4]heptan-6-ol (CID 67296898) is 4-oxaspiro[2.4]heptan-6-ol.
What is the SMILES notation for 4-oxaspiro[2.4]heptan-6-ol?
The canonical SMILES for 4-oxaspiro[2.4]heptan-6-ol is OC1COC2(CC2)C1.
What is the InChIKey of 4-oxaspiro[2.4]heptan-6-ol?
The InChIKey is GEAKSOHRNZXSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-3-6(1-2-6)8-4-5/h5,7H,1-4H2.
What are the key properties of 4-oxaspiro[2.4]heptan-6-ol?
4-oxaspiro[2.4]heptan-6-ol has a molecular weight of 114.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxaspiro[2.4]heptan-6-ol is sourced from PubChem (CID 67296898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).