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

C12H23BrO2 — CID 88752617

IUPAC7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene
SMILESCCOC(C)OC(CBr)CCC=C(C)C
InChIInChI=1S/C12H23BrO2/c1-5-14-11(4)15-12(9-13)8-6-7-10(2)3/h7,11-12H,5-6,8-9H2,1-4H3
InChIKeyOVTWKAJDEHDKGX-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.90
Rot. Bonds8

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

7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene (PubChem CID 88752617) has the molecular formula C12H23BrO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene.

Molecular Properties

Compound Name7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene
PubChem CID88752617
Molecular FormulaC12H23BrO2
Molecular Weight279.22 g/mol
Exact Mass278.09
IUPAC Name7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene
SMILESCCOC(C)OC(CBr)CCC=C(C)C
InChIInChI=1S/C12H23BrO2/c1-5-14-11(4)15-12(9-13)8-6-7-10(2)3/h7,11-12H,5-6,8-9H2,1-4H3
InChIKeyOVTWKAJDEHDKGX-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.90
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-ethoxyethoxy)-2-methylhept-2-ene?
The IUPAC name of 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene (CID 88752617) is 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene.
What is the SMILES notation for 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene?
The canonical SMILES for 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene is CCOC(C)OC(CBr)CCC=C(C)C.
What is the InChIKey of 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene?
The InChIKey is OVTWKAJDEHDKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO2/c1-5-14-11(4)15-12(9-13)8-6-7-10(2)3/h7,11-12H,5-6,8-9H2,1-4H3.
What are the key properties of 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene?
7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene has a molecular weight of 279.22 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene is sourced from PubChem (CID 88752617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).