(E)-2-(2-chloro-2-methylpropoxy)pent-2-ene

C₉H₁₇ClO — CID 154930146

About (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene

(E)-2-(2-chloro-2-methylpropoxy)pent-2-ene (PubChem CID 154930146) has the molecular formula C₉H₁₇ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene.

Molecular Properties

• Compound Name: (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene
• PubChem CID: 154930146
• Molecular Formula: C₉H₁₇ClO
• Molecular Weight: 176.69 g/mol
• Exact Mass: 176.10
• IUPAC Name: (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene
• SMILES: CC/C=C(\C)OCC(C)(C)Cl
• InChI: InChI=1S/C9H17ClO/c1-5-6-8(2)11-7-9(3,4)10/h6H,5,7H2,1-4H3/b8-6+
• InChIKey: KKLRFGGYKOMDJI-SOFGYWHQSA-N
• XLogP: 3.33
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	176.69
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene?

The IUPAC name of (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene (CID 154930146) is (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene.

What is the SMILES notation for (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene?

The canonical SMILES for (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene is CC/C=C(\C)OCC(C)(C)Cl.

What is the InChIKey of (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene?

The InChIKey is KKLRFGGYKOMDJI-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17ClO/c1-5-6-8(2)11-7-9(3,4)10/h6H,5,7H2,1-4H3/b8-6+.

What are the key properties of (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene?

(E)-2-(2-chloro-2-methylpropoxy)pent-2-ene has a molecular weight of 176.69 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(2-chloro-2-methylpropoxy)pent-2-ene is sourced from PubChem (CID 154930146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154930146 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.