7-bromo-4,4,6,6-tetramethylhept-1-ene

C11H21Br — CID 89043109

IUPAC7-bromo-4,4,6,6-tetramethylhept-1-ene
SMILESC=CCC(C)(C)CC(C)(C)CBr
InChIInChI=1S/C11H21Br/c1-6-7-10(2,3)8-11(4,5)9-12/h6H,1,7-9H2,2-5H3
InChIKeyHNDAHSICUVEXDG-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.40
Rot. Bonds5

About 7-bromo-4,4,6,6-tetramethylhept-1-ene

7-bromo-4,4,6,6-tetramethylhept-1-ene (PubChem CID 89043109) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 7-bromo-4,4,6,6-tetramethylhept-1-ene.

Molecular Properties

Compound Name7-bromo-4,4,6,6-tetramethylhept-1-ene
PubChem CID89043109
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name7-bromo-4,4,6,6-tetramethylhept-1-ene
SMILESC=CCC(C)(C)CC(C)(C)CBr
InChIInChI=1S/C11H21Br/c1-6-7-10(2,3)8-11(4,5)9-12/h6H,1,7-9H2,2-5H3
InChIKeyHNDAHSICUVEXDG-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-4,4,6,6-tetramethylhept-1-ene?
The IUPAC name of 7-bromo-4,4,6,6-tetramethylhept-1-ene (CID 89043109) is 7-bromo-4,4,6,6-tetramethylhept-1-ene.
What is the SMILES notation for 7-bromo-4,4,6,6-tetramethylhept-1-ene?
The canonical SMILES for 7-bromo-4,4,6,6-tetramethylhept-1-ene is C=CCC(C)(C)CC(C)(C)CBr.
What is the InChIKey of 7-bromo-4,4,6,6-tetramethylhept-1-ene?
The InChIKey is HNDAHSICUVEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-6-7-10(2,3)8-11(4,5)9-12/h6H,1,7-9H2,2-5H3.
What are the key properties of 7-bromo-4,4,6,6-tetramethylhept-1-ene?
7-bromo-4,4,6,6-tetramethylhept-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,4,6,6-tetramethylhept-1-ene is sourced from PubChem (CID 89043109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).