6-bromo-2,7,7-trimethyloct-1-ene

C11H21Br — CID 79185124

IUPAC6-bromo-2,7,7-trimethyloct-1-ene
SMILESC=C(C)CCCC(Br)C(C)(C)C
InChIInChI=1S/C11H21Br/c1-9(2)7-6-8-10(12)11(3,4)5/h10H,1,6-8H2,2-5H3
InChIKeyFCDGJRKHNBGBKL-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.54
Rot. Bonds4

About 6-bromo-2,7,7-trimethyloct-1-ene

6-bromo-2,7,7-trimethyloct-1-ene (PubChem CID 79185124) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 6-bromo-2,7,7-trimethyloct-1-ene.

Molecular Properties

Compound Name6-bromo-2,7,7-trimethyloct-1-ene
PubChem CID79185124
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name6-bromo-2,7,7-trimethyloct-1-ene
SMILESC=C(C)CCCC(Br)C(C)(C)C
InChIInChI=1S/C11H21Br/c1-9(2)7-6-8-10(12)11(3,4)5/h10H,1,6-8H2,2-5H3
InChIKeyFCDGJRKHNBGBKL-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.54
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 6-bromo-2,7,7-trimethyloct-1-ene?
The IUPAC name of 6-bromo-2,7,7-trimethyloct-1-ene (CID 79185124) is 6-bromo-2,7,7-trimethyloct-1-ene.
What is the SMILES notation for 6-bromo-2,7,7-trimethyloct-1-ene?
The canonical SMILES for 6-bromo-2,7,7-trimethyloct-1-ene is C=C(C)CCCC(Br)C(C)(C)C.
What is the InChIKey of 6-bromo-2,7,7-trimethyloct-1-ene?
The InChIKey is FCDGJRKHNBGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-9(2)7-6-8-10(12)11(3,4)5/h10H,1,6-8H2,2-5H3.
What are the key properties of 6-bromo-2,7,7-trimethyloct-1-ene?
6-bromo-2,7,7-trimethyloct-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,7,7-trimethyloct-1-ene is sourced from PubChem (CID 79185124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).