3-ethyl-2-oxaspiro[4.5]decane

C11H20O — CID 102162651

IUPAC3-ethyl-2-oxaspiro[4.5]decane
SMILESCCC1CC2(CCCCC2)CO1
InChIInChI=1S/C11H20O/c1-2-10-8-11(9-12-10)6-4-3-5-7-11/h10H,2-9H2,1H3
InChIKeyRITGAHQGXCMYOV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.14
Rot. Bonds1

About 3-ethyl-2-oxaspiro[4.5]decane

3-ethyl-2-oxaspiro[4.5]decane (PubChem CID 102162651) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethyl-2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-2-oxaspiro[4.5]decane
PubChem CID102162651
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethyl-2-oxaspiro[4.5]decane
SMILESCCC1CC2(CCCCC2)CO1
InChIInChI=1S/C11H20O/c1-2-10-8-11(9-12-10)6-4-3-5-7-11/h10H,2-9H2,1H3
InChIKeyRITGAHQGXCMYOV-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxaspiro[4.5]decane?
The IUPAC name of 3-ethyl-2-oxaspiro[4.5]decane (CID 102162651) is 3-ethyl-2-oxaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-2-oxaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-2-oxaspiro[4.5]decane is CCC1CC2(CCCCC2)CO1.
What is the InChIKey of 3-ethyl-2-oxaspiro[4.5]decane?
The InChIKey is RITGAHQGXCMYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-10-8-11(9-12-10)6-4-3-5-7-11/h10H,2-9H2,1H3.
What are the key properties of 3-ethyl-2-oxaspiro[4.5]decane?
3-ethyl-2-oxaspiro[4.5]decane has a molecular weight of 168.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxaspiro[4.5]decane is sourced from PubChem (CID 102162651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).