3-methoxyspiro[4.4]nonane

C10H18O — CID 129102731

IUPAC3-methoxyspiro[4.4]nonane
SMILESCOC1CCC2(CCCC2)C1
InChIInChI=1S/C10H18O/c1-11-9-4-7-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3
InChIKeyPHDPNQIGERMBTL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.75
Rot. Bonds1

About 3-methoxyspiro[4.4]nonane

3-methoxyspiro[4.4]nonane (PubChem CID 129102731) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methoxyspiro[4.4]nonane.

Molecular Properties

Compound Name3-methoxyspiro[4.4]nonane
PubChem CID129102731
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methoxyspiro[4.4]nonane
SMILESCOC1CCC2(CCCC2)C1
InChIInChI=1S/C10H18O/c1-11-9-4-7-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3
InChIKeyPHDPNQIGERMBTL-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methoxyspiro[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

Frequently Asked Questions

What is the IUPAC name of 3-methoxyspiro[4.4]nonane?
The IUPAC name of 3-methoxyspiro[4.4]nonane (CID 129102731) is 3-methoxyspiro[4.4]nonane.
What is the SMILES notation for 3-methoxyspiro[4.4]nonane?
The canonical SMILES for 3-methoxyspiro[4.4]nonane is COC1CCC2(CCCC2)C1.
What is the InChIKey of 3-methoxyspiro[4.4]nonane?
The InChIKey is PHDPNQIGERMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-11-9-4-7-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3.
What are the key properties of 3-methoxyspiro[4.4]nonane?
3-methoxyspiro[4.4]nonane has a molecular weight of 154.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyspiro[4.4]nonane is sourced from PubChem (CID 129102731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).