(E)-1-bromo-5,5-dimethylhex-2-ene

C8H15Br — CID 87608833

IUPAC(E)-1-bromo-5,5-dimethylhex-2-ene
SMILESCC(C)(C)C/C=C/CBr
InChIInChI=1S/C8H15Br/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyDLSMILBKWXKWAU-SNAWJCMRSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds2

About (E)-1-bromo-5,5-dimethylhex-2-ene

(E)-1-bromo-5,5-dimethylhex-2-ene (PubChem CID 87608833) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (E)-1-bromo-5,5-dimethylhex-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-5,5-dimethylhex-2-ene
PubChem CID87608833
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(E)-1-bromo-5,5-dimethylhex-2-ene
SMILESCC(C)(C)C/C=C/CBr
InChIInChI=1S/C8H15Br/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyDLSMILBKWXKWAU-SNAWJCMRSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.37
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 (E)-1-bromo-5,5-dimethylhex-2-ene?
The IUPAC name of (E)-1-bromo-5,5-dimethylhex-2-ene (CID 87608833) is (E)-1-bromo-5,5-dimethylhex-2-ene.
What is the SMILES notation for (E)-1-bromo-5,5-dimethylhex-2-ene?
The canonical SMILES for (E)-1-bromo-5,5-dimethylhex-2-ene is CC(C)(C)C/C=C/CBr.
What is the InChIKey of (E)-1-bromo-5,5-dimethylhex-2-ene?
The InChIKey is DLSMILBKWXKWAU-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15Br/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-1-bromo-5,5-dimethylhex-2-ene?
(E)-1-bromo-5,5-dimethylhex-2-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-5,5-dimethylhex-2-ene is sourced from PubChem (CID 87608833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).