1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane

C23H42 — CID 90939456

IUPAC1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane
SMILESCCC(C)(C)CC(C)C(C)C(C)=C1CC1CC1CC1CC(C)C
InChIInChI=1S/C23H42/c1-9-23(7,8)14-16(4)17(5)18(6)22-13-21(22)12-20-11-19(20)10-15(2)3/h15-17,19-21H,9-14H2,1-8H3
InChIKeyZSYYUEACIQGBFH-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.49
Rot. Bonds9

About 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane

1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane (PubChem CID 90939456) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane.

Molecular Properties

Compound Name1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane
PubChem CID90939456
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane
SMILESCCC(C)(C)CC(C)C(C)C(C)=C1CC1CC1CC1CC(C)C
InChIInChI=1S/C23H42/c1-9-23(7,8)14-16(4)17(5)18(6)22-13-21(22)12-20-11-19(20)10-15(2)3/h15-17,19-21H,9-14H2,1-8H3
InChIKeyZSYYUEACIQGBFH-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane with MolForge

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Related Compounds

Casbene
CID 5280437
Pacificin I
CID 21574270
(-)-Casbene
CID 5316105
3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 439496
Macrophomene
CID 165368626
4-Methyl-3-carene
CID 14029516
syn-Tricyclo[5.1.0.0(2,4)]oct-5-ene, 3,3,5,6,8,8-hexamethyl-
CID 600264
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
2-(3,7-Dimethylnonyl)-1,3,3-trimethylcyclohexene
CID 141781617
1-tert-Butyl-4-cyclopropylidenecyclohexane
CID 13280445
3,7,11,15,15-Pentamethylbicyclo(12.1.0)pentadeca-2,6,10-triene
CID 6450251
5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane
CID 166942042

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane?
The IUPAC name of 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane (CID 90939456) is 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane.
What is the SMILES notation for 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane?
The canonical SMILES for 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane is CCC(C)(C)CC(C)C(C)C(C)=C1CC1CC1CC1CC(C)C.
What is the InChIKey of 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane?
The InChIKey is ZSYYUEACIQGBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-9-23(7,8)14-16(4)17(5)18(6)22-13-21(22)12-20-11-19(20)10-15(2)3/h15-17,19-21H,9-14H2,1-8H3.
What are the key properties of 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane?
1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane has a molecular weight of 318.59 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane is sourced from PubChem (CID 90939456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).