7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene

C11H21BrO2 — CID 88753326

IUPAC7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene
SMILESCOC(C)OC(CBr)CCC=C(C)C
InChIInChI=1S/C11H21BrO2/c1-9(2)6-5-7-11(8-12)14-10(3)13-4/h6,10-11H,5,7-8H2,1-4H3
InChIKeyQZZPSAKCYIKMAR-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.51
Rot. Bonds7

About 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene

7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene (PubChem CID 88753326) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene.

Molecular Properties

Compound Name7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene
PubChem CID88753326
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene
SMILESCOC(C)OC(CBr)CCC=C(C)C
InChIInChI=1S/C11H21BrO2/c1-9(2)6-5-7-11(8-12)14-10(3)13-4/h6,10-11H,5,7-8H2,1-4H3
InChIKeyQZZPSAKCYIKMAR-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': '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 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene?
The IUPAC name of 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene (CID 88753326) is 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene.
What is the SMILES notation for 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene?
The canonical SMILES for 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene is COC(C)OC(CBr)CCC=C(C)C.
What is the InChIKey of 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene?
The InChIKey is QZZPSAKCYIKMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-9(2)6-5-7-11(8-12)14-10(3)13-4/h6,10-11H,5,7-8H2,1-4H3.
What are the key properties of 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene?
7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene has a molecular weight of 265.19 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene is sourced from PubChem (CID 88753326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).