(E)-6-bromo-3-methylhex-2-ene

C7H13Br — CID 14321353

IUPAC(E)-6-bromo-3-methylhex-2-ene
SMILESC/C=C(\C)CCCBr
InChIInChI=1S/C7H13Br/c1-3-7(2)5-4-6-8/h3H,4-6H2,1-2H3/b7-3+
InChIKeyDUKUTRKVECVZFN-XVNBXDOJSA-N
MW177.08 g/mol
LogP3.13
Rot. Bonds3

About (E)-6-bromo-3-methylhex-2-ene

(E)-6-bromo-3-methylhex-2-ene (PubChem CID 14321353) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is (E)-6-bromo-3-methylhex-2-ene.

Molecular Properties

Compound Name(E)-6-bromo-3-methylhex-2-ene
PubChem CID14321353
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name(E)-6-bromo-3-methylhex-2-ene
SMILESC/C=C(\C)CCCBr
InChIInChI=1S/C7H13Br/c1-3-7(2)5-4-6-8/h3H,4-6H2,1-2H3/b7-3+
InChIKeyDUKUTRKVECVZFN-XVNBXDOJSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 53.13
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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Related Compounds

5-Bromo-2-methyl-2-pentene
CID 137521
2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-
CID 5365867
1-(Bromomethyl)cyclohexene
CID 3015932
5-Bromo-2-methyl-1-pentene
CID 11789538
3-Octene, 1-bromo-, (3E)-
CID 6437045
3-Octene, 1-bromo-, (3Z)-
CID 6437046
Farnesyl bromide
CID 550199
1-(Bromomethyl)cyclopent-1-ene
CID 11073725
1-Bromo-4-methylhex-3-ene
CID 53395414
6-Bromo-2-methylhex-2-ene
CID 13638116
1-Bromo-3-heptene
CID 3023479
7-Bromohept-3-ene
CID 53676115

Frequently Asked Questions

What is the IUPAC name of (E)-6-bromo-3-methylhex-2-ene?
The IUPAC name of (E)-6-bromo-3-methylhex-2-ene (CID 14321353) is (E)-6-bromo-3-methylhex-2-ene.
What is the SMILES notation for (E)-6-bromo-3-methylhex-2-ene?
The canonical SMILES for (E)-6-bromo-3-methylhex-2-ene is C/C=C(\C)CCCBr.
What is the InChIKey of (E)-6-bromo-3-methylhex-2-ene?
The InChIKey is DUKUTRKVECVZFN-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-7(2)5-4-6-8/h3H,4-6H2,1-2H3/b7-3+.
What are the key properties of (E)-6-bromo-3-methylhex-2-ene?
(E)-6-bromo-3-methylhex-2-ene has a molecular weight of 177.08 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-bromo-3-methylhex-2-ene is sourced from PubChem (CID 14321353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).