6-oxaspiro[2.5]octane

C7H12O — CID 12643743

IUPAC6-oxaspiro[2.5]octane
SMILESC1CC2(CCO1)CC2
InChIInChI=1S/C7H12O/c1-2-7(1)3-5-8-6-4-7/h1-6H2
InChIKeyDNYLYFXZVUKADC-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.58
Rot. Bonds

About 6-oxaspiro[2.5]octane

6-oxaspiro[2.5]octane (PubChem CID 12643743) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 6-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-oxaspiro[2.5]octane
PubChem CID12643743
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name6-oxaspiro[2.5]octane
SMILESC1CC2(CCO1)CC2
InChIInChI=1S/C7H12O/c1-2-7(1)3-5-8-6-4-7/h1-6H2
InChIKeyDNYLYFXZVUKADC-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[2.5]octane?
The IUPAC name of 6-oxaspiro[2.5]octane (CID 12643743) is 6-oxaspiro[2.5]octane.
What is the SMILES notation for 6-oxaspiro[2.5]octane?
The canonical SMILES for 6-oxaspiro[2.5]octane is C1CC2(CCO1)CC2.
What is the InChIKey of 6-oxaspiro[2.5]octane?
The InChIKey is DNYLYFXZVUKADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-7(1)3-5-8-6-4-7/h1-6H2.
What are the key properties of 6-oxaspiro[2.5]octane?
6-oxaspiro[2.5]octane has a molecular weight of 112.17 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[2.5]octane is sourced from PubChem (CID 12643743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).