3-methylidenespiro[4.4]nonane

C10H16 — CID 24977226

IUPAC3-methylidenespiro[4.4]nonane
SMILESC=C1CCC2(CCCC2)C1
InChIInChI=1S/C10H16/c1-9-4-7-10(8-9)5-2-3-6-10/h1-8H2
InChIKeyUGSOCXMZKWGXIZ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.29
Rot. Bonds

About 3-methylidenespiro[4.4]nonane

3-methylidenespiro[4.4]nonane (PubChem CID 24977226) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methylidenespiro[4.4]nonane.

Molecular Properties

Compound Name3-methylidenespiro[4.4]nonane
PubChem CID24977226
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-methylidenespiro[4.4]nonane
SMILESC=C1CCC2(CCCC2)C1
InChIInChI=1S/C10H16/c1-9-4-7-10(8-9)5-2-3-6-10/h1-8H2
InChIKeyUGSOCXMZKWGXIZ-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenespiro[4.4]nonane?
The IUPAC name of 3-methylidenespiro[4.4]nonane (CID 24977226) is 3-methylidenespiro[4.4]nonane.
What is the SMILES notation for 3-methylidenespiro[4.4]nonane?
The canonical SMILES for 3-methylidenespiro[4.4]nonane is C=C1CCC2(CCCC2)C1.
What is the InChIKey of 3-methylidenespiro[4.4]nonane?
The InChIKey is UGSOCXMZKWGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-9-4-7-10(8-9)5-2-3-6-10/h1-8H2.
What are the key properties of 3-methylidenespiro[4.4]nonane?
3-methylidenespiro[4.4]nonane has a molecular weight of 136.24 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenespiro[4.4]nonane is sourced from PubChem (CID 24977226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).