2-oxaspiro[3.5]nonane

C8H14O — CID 12709675

IUPAC2-oxaspiro[3.5]nonane
SMILESC1CCC2(CC1)COC2
InChIInChI=1S/C8H14O/c1-2-4-8(5-3-1)6-9-7-8/h1-7H2
InChIKeyPNLURCRXZLVRJR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

About 2-oxaspiro[3.5]nonane

2-oxaspiro[3.5]nonane (PubChem CID 12709675) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name2-oxaspiro[3.5]nonane
PubChem CID12709675
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-oxaspiro[3.5]nonane
SMILESC1CCC2(CC1)COC2
InChIInChI=1S/C8H14O/c1-2-4-8(5-3-1)6-9-7-8/h1-7H2
InChIKeyPNLURCRXZLVRJR-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[3.5]nonane?
The IUPAC name of 2-oxaspiro[3.5]nonane (CID 12709675) is 2-oxaspiro[3.5]nonane.
What is the SMILES notation for 2-oxaspiro[3.5]nonane?
The canonical SMILES for 2-oxaspiro[3.5]nonane is C1CCC2(CC1)COC2.
What is the InChIKey of 2-oxaspiro[3.5]nonane?
The InChIKey is PNLURCRXZLVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-4-8(5-3-1)6-9-7-8/h1-7H2.
What are the key properties of 2-oxaspiro[3.5]nonane?
2-oxaspiro[3.5]nonane has a molecular weight of 126.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[3.5]nonane is sourced from PubChem (CID 12709675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).