1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene

C11H21BrO2 — CID 10967408

IUPAC1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene
SMILESCCCCOC(CBr)OCC=C(C)C
InChIInChI=1S/C11H21BrO2/c1-4-5-7-13-11(9-12)14-8-6-10(2)3/h6,11H,4-5,7-9H2,1-3H3
InChIKeyUWEHAFGZSLTCTL-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.51
Rot. Bonds8

About 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene

1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene (PubChem CID 10967408) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene.

Molecular Properties

Compound Name1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene
PubChem CID10967408
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene
SMILESCCCCOC(CBr)OCC=C(C)C
InChIInChI=1S/C11H21BrO2/c1-4-5-7-13-11(9-12)14-8-6-10(2)3/h6,11H,4-5,7-9H2,1-3H3
InChIKeyUWEHAFGZSLTCTL-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene?
The IUPAC name of 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene (CID 10967408) is 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene.
What is the SMILES notation for 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene?
The canonical SMILES for 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene is CCCCOC(CBr)OCC=C(C)C.
What is the InChIKey of 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene?
The InChIKey is UWEHAFGZSLTCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-4-5-7-13-11(9-12)14-8-6-10(2)3/h6,11H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene?
1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene has a molecular weight of 265.19 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-butoxyethoxy)-3-methylbut-2-ene is sourced from PubChem (CID 10967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).