2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane

C13H22 — CID 123563441

IUPAC2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane
SMILESCCCC1(C)C(C=C(C)C)C2CC21
InChIInChI=1S/C13H22/c1-5-6-13(4)11(7-9(2)3)10-8-12(10)13/h7,10-12H,5-6,8H2,1-4H3
InChIKeyGEMIYADSEWWMBZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane

2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane (PubChem CID 123563441) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane
PubChem CID123563441
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane
SMILESCCCC1(C)C(C=C(C)C)C2CC21
InChIInChI=1S/C13H22/c1-5-6-13(4)11(7-9(2)3)10-8-12(10)13/h7,10-12H,5-6,8H2,1-4H3
InChIKeyGEMIYADSEWWMBZ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.02
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 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane?
The IUPAC name of 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane (CID 123563441) is 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane?
The canonical SMILES for 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane is CCCC1(C)C(C=C(C)C)C2CC21.
What is the InChIKey of 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane?
The InChIKey is GEMIYADSEWWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-6-13(4)11(7-9(2)3)10-8-12(10)13/h7,10-12H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane?
2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane has a molecular weight of 178.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-1-enyl)-2-propylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123563441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).