About 2-methyl-2-pent-2-en-3-yloxypentane
2-methyl-2-pent-2-en-3-yloxypentane (PubChem CID 57292041) has the molecular formula C11H22O
and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methyl-2-pent-2-en-3-yloxypentane.
Molecular Properties
| Compound Name | 2-methyl-2-pent-2-en-3-yloxypentane |
| PubChem CID | 57292041 |
| Molecular Formula | C11H22O |
| Molecular Weight | 170.30 g/mol |
| Exact Mass | 170.17 |
| IUPAC Name | 2-methyl-2-pent-2-en-3-yloxypentane |
| SMILES | CC=C(CC)OC(C)(C)CCC |
| InChI | InChI=1S/C11H22O/c1-6-9-11(4,5)12-10(7-2)8-3/h7H,6,8-9H2,1-5H3 |
| InChIKey | RWTZSLBDKWFNCI-UHFFFAOYSA-N |
| XLogP | 3.90 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 170.30 |
| LogP ≤ 5 | 3.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
|---|
Analyze 2-methyl-2-pent-2-en-3-yloxypentane 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 2-methyl-2-pent-2-en-3-yloxypentane?
The IUPAC name of 2-methyl-2-pent-2-en-3-yloxypentane (CID 57292041) is 2-methyl-2-pent-2-en-3-yloxypentane.
What is the SMILES notation for 2-methyl-2-pent-2-en-3-yloxypentane?
The canonical SMILES for 2-methyl-2-pent-2-en-3-yloxypentane is CC=C(CC)OC(C)(C)CCC.
What is the InChIKey of 2-methyl-2-pent-2-en-3-yloxypentane?
The InChIKey is RWTZSLBDKWFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-9-11(4,5)12-10(7-2)8-3/h7H,6,8-9H2,1-5H3.
What are the key properties of 2-methyl-2-pent-2-en-3-yloxypentane?
2-methyl-2-pent-2-en-3-yloxypentane has a molecular weight of 170.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pent-2-en-3-yloxypentane is sourced from PubChem (CID 57292041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).