2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane

C₁₉H₃₈O₂ — CID 151466540

About 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane

2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane (PubChem CID 151466540) has the molecular formula C₁₉H₃₈O₂ and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane.

Molecular Properties

• Compound Name: 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane
• PubChem CID: 151466540
• Molecular Formula: C₁₉H₃₈O₂
• Molecular Weight: 298.51 g/mol
• Exact Mass: 298.29
• IUPAC Name: 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane
• SMILES: CC=COCCC(CCCCCCCC)C(C)(C)OCC
• InChI: InChI=1S/C19H38O2/c1-6-9-10-11-12-13-14-18(15-17-20-16-7-2)19(4,5)21-8-3/h7,16,18H,6,8-15,17H2,1-5H3
• InChIKey: PJOPHMHIBMVTGV-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	298.51
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?

The IUPAC name of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane (CID 151466540) is 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane.

What is the SMILES notation for 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?

The canonical SMILES for 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane is CC=COCCC(CCCCCCCC)C(C)(C)OCC.

What is the InChIKey of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?

The InChIKey is PJOPHMHIBMVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-6-9-10-11-12-13-14-18(15-17-20-16-7-2)19(4,5)21-8-3/h7,16,18H,6,8-15,17H2,1-5H3.

What are the key properties of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?

2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane has a molecular weight of 298.51 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane is sourced from PubChem (CID 151466540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151466540 — identifiers, structure, computed properties (public domain)

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