(E)-1-bromo-2-methylhex-1-ene

C7H13Br — CID 13110418

IUPAC(E)-1-bromo-2-methylhex-1-ene
SMILESCCCC/C(C)=C/Br
InChIInChI=1S/C7H13Br/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3/b7-6+
InChIKeyIOHLWGBRYSNYTH-VOTSOKGWSA-N
MW177.09 g/mol
LogP3.48
Rot. Bonds3

About (E)-1-bromo-2-methylhex-1-ene

(E)-1-bromo-2-methylhex-1-ene (PubChem CID 13110418) has the molecular formula C7H13Br and a molecular weight of 177.09 g/mol. Its IUPAC name is (E)-1-bromo-2-methylhex-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-2-methylhex-1-ene
PubChem CID13110418
Molecular FormulaC7H13Br
Molecular Weight177.09 g/mol
Exact Mass176.02
IUPAC Name(E)-1-bromo-2-methylhex-1-ene
SMILESCCCC/C(C)=C/Br
InChIInChI=1S/C7H13Br/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3/b7-6+
InChIKeyIOHLWGBRYSNYTH-VOTSOKGWSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.09
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-2-methylhex-1-ene?
The IUPAC name of (E)-1-bromo-2-methylhex-1-ene (CID 13110418) is (E)-1-bromo-2-methylhex-1-ene.
What is the SMILES notation for (E)-1-bromo-2-methylhex-1-ene?
The canonical SMILES for (E)-1-bromo-2-methylhex-1-ene is CCCC/C(C)=C/Br.
What is the InChIKey of (E)-1-bromo-2-methylhex-1-ene?
The InChIKey is IOHLWGBRYSNYTH-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-1-bromo-2-methylhex-1-ene?
(E)-1-bromo-2-methylhex-1-ene has a molecular weight of 177.09 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-2-methylhex-1-ene is sourced from PubChem (CID 13110418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).