3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene

C8H15BrO2 — CID 11064044

IUPAC3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene
SMILESC=C(C)COC(CBr)OCC
InChIInChI=1S/C8H15BrO2/c1-4-10-8(5-9)11-6-7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyYNNYXUPWENKYBQ-UHFFFAOYSA-N
MW223.11 g/mol
LogP2.34
Rot. Bonds6

About 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene

3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene (PubChem CID 11064044) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene.

Molecular Properties

Compound Name3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene
PubChem CID11064044
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene
SMILESC=C(C)COC(CBr)OCC
InChIInChI=1S/C8H15BrO2/c1-4-10-8(5-9)11-6-7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyYNNYXUPWENKYBQ-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene?
The IUPAC name of 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene (CID 11064044) is 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene.
What is the SMILES notation for 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene?
The canonical SMILES for 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene is C=C(C)COC(CBr)OCC.
What is the InChIKey of 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene?
The InChIKey is YNNYXUPWENKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-4-10-8(5-9)11-6-7(2)3/h8H,2,4-6H2,1,3H3.
What are the key properties of 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene?
3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene has a molecular weight of 223.11 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-ethoxyethoxy)-2-methylprop-1-ene is sourced from PubChem (CID 11064044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).