6-methylidenespiro[2.4]heptane

C8H12 — CID 556723

IUPAC6-methylidenespiro[2.4]heptane
SMILESC=C1CCC2(CC2)C1
InChIInChI=1S/C8H12/c1-7-2-3-8(6-7)4-5-8/h1-6H2
InChIKeyOCNHZMLUJOCDAE-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds

About 6-methylidenespiro[2.4]heptane

6-methylidenespiro[2.4]heptane (PubChem CID 556723) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 6-methylidenespiro[2.4]heptane.

Molecular Properties

Compound Name6-methylidenespiro[2.4]heptane
PubChem CID556723
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name6-methylidenespiro[2.4]heptane
SMILESC=C1CCC2(CC2)C1
InChIInChI=1S/C8H12/c1-7-2-3-8(6-7)4-5-8/h1-6H2
InChIKeyOCNHZMLUJOCDAE-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.51
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 6-methylidenespiro[2.4]heptane?
The IUPAC name of 6-methylidenespiro[2.4]heptane (CID 556723) is 6-methylidenespiro[2.4]heptane.
What is the SMILES notation for 6-methylidenespiro[2.4]heptane?
The canonical SMILES for 6-methylidenespiro[2.4]heptane is C=C1CCC2(CC2)C1.
What is the InChIKey of 6-methylidenespiro[2.4]heptane?
The InChIKey is OCNHZMLUJOCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-7-2-3-8(6-7)4-5-8/h1-6H2.
What are the key properties of 6-methylidenespiro[2.4]heptane?
6-methylidenespiro[2.4]heptane has a molecular weight of 108.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenespiro[2.4]heptane is sourced from PubChem (CID 556723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).