1-oxaspiro[4.4]nonane

C8H14O — CID 12630234

IUPAC1-oxaspiro[4.4]nonane
SMILESC1CCC2(C1)CCCO2
InChIInChI=1S/C8H14O/c1-2-5-8(4-1)6-3-7-9-8/h1-7H2
InChIKeyQFYIUUDHEXYHRJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.11
Rot. Bonds

About 1-oxaspiro[4.4]nonane

1-oxaspiro[4.4]nonane (PubChem CID 12630234) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonane
PubChem CID12630234
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-oxaspiro[4.4]nonane
SMILESC1CCC2(C1)CCCO2
InChIInChI=1S/C8H14O/c1-2-5-8(4-1)6-3-7-9-8/h1-7H2
InChIKeyQFYIUUDHEXYHRJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-oxaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Oxaspiro(4.5)decane
CID 301168
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
Oxabicyclopentane
CID 21071687
3-Fluoro-1-oxaspiro[4.4]nonane
CID 156730672
2,2-Dibutyl-tetrahydro-furan
CID 11735569
2-Butyl-2-methyl tetrahydrofuran
CID 12570319
2-(Cyclopentylmethyl)oxolane
CID 14389092
4-Methyl-1-oxaspiro[4.4]nonane
CID 101047494
(2R)-2-methyl-2-octyloxolane
CID 138962700
1-Oxaspiro[4.11]hexadecane
CID 86183579
2-Hexyl-2-methyloxolane
CID 10964962
2-Methyl-2-propyloxolane
CID 11829455

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonane?
The IUPAC name of 1-oxaspiro[4.4]nonane (CID 12630234) is 1-oxaspiro[4.4]nonane.
What is the SMILES notation for 1-oxaspiro[4.4]nonane?
The canonical SMILES for 1-oxaspiro[4.4]nonane is C1CCC2(C1)CCCO2.
What is the InChIKey of 1-oxaspiro[4.4]nonane?
The InChIKey is QFYIUUDHEXYHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-5-8(4-1)6-3-7-9-8/h1-7H2.
What are the key properties of 1-oxaspiro[4.4]nonane?
1-oxaspiro[4.4]nonane has a molecular weight of 126.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonane is sourced from PubChem (CID 12630234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).