2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane

C15H28 — CID 90923865

IUPAC2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane
SMILESCCCC(C)C(CC(C)C)=C1CC1(C)C
InChIInChI=1S/C15H28/c1-7-8-12(4)13(9-11(2)3)14-10-15(14,5)6/h11-12H,7-10H2,1-6H3
InChIKeyGVNOBVHLFHNKGE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds5

About 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane

2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane (PubChem CID 90923865) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane
PubChem CID90923865
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane
SMILESCCCC(C)C(CC(C)C)=C1CC1(C)C
InChIInChI=1S/C15H28/c1-7-8-12(4)13(9-11(2)3)14-10-15(14,5)6/h11-12H,7-10H2,1-6H3
InChIKeyGVNOBVHLFHNKGE-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Menthene
CID 25445
2,3,4,5,6,7,8,9,10,11,12,13-Dodecahydro-2-methyl-1H-cyclopentacyclododecene
CID 14609946
Cyclohexene, 2-butyl-1,3,3-trimethyl-
CID 596705
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
1,2,3,3-Tetramethylcyclohexene
CID 11287951
1,2,4,4-Tetramethylcycloheptene
CID 14029510
4-Methyl-3-carene
CID 14029516
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
1,2-Di-tert-butyl-3,3-dimethylcyclopropene
CID 12418182
1-Hexyl-2-(3-methylbut-2-enyl)cyclopropane
CID 15457618
1-tert-Butyl-4-cyclopropylidenecyclohexane
CID 13280445

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane (CID 90923865) is 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane is CCCC(C)C(CC(C)C)=C1CC1(C)C.
What is the InChIKey of 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane?
The InChIKey is GVNOBVHLFHNKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-7-8-12(4)13(9-11(2)3)14-10-15(14,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane?
2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane has a molecular weight of 208.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane is sourced from PubChem (CID 90923865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).