1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane

C12H20 — CID 564673

IUPAC1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane
SMILESC=C1CC2(C(C)C1C)C(C)C2C
InChIInChI=1S/C12H20/c1-7-6-12(9(3)8(7)2)10(4)11(12)5/h8-11H,1,6H2,2-5H3
InChIKeyJAUOXJQLPADTPK-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.49
Rot. Bonds

About 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane

1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane (PubChem CID 564673) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane.

Molecular Properties

Compound Name1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane
PubChem CID564673
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane
SMILESC=C1CC2(C(C)C1C)C(C)C2C
InChIInChI=1S/C12H20/c1-7-6-12(9(3)8(7)2)10(4)11(12)5/h8-11H,1,6H2,2-5H3
InChIKeyJAUOXJQLPADTPK-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane 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 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane?
The IUPAC name of 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane (CID 564673) is 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane.
What is the SMILES notation for 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane?
The canonical SMILES for 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane is C=C1CC2(C(C)C1C)C(C)C2C.
What is the InChIKey of 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane?
The InChIKey is JAUOXJQLPADTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-7-6-12(9(3)8(7)2)10(4)11(12)5/h8-11H,1,6H2,2-5H3.
What are the key properties of 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane?
1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetramethyl-5-methylidenespiro[2.4]heptane is sourced from PubChem (CID 564673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).