6-bromo-4-methylhex-1-ene

C7H13Br — CID 13119643

IUPAC6-bromo-4-methylhex-1-ene
SMILESC=CCC(C)CCBr
InChIInChI=1S/C7H13Br/c1-3-4-7(2)5-6-8/h3,7H,1,4-6H2,2H3
InChIKeyAXCLVVKUDJQYRV-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.98
Rot. Bonds4

About 6-bromo-4-methylhex-1-ene

6-bromo-4-methylhex-1-ene (PubChem CID 13119643) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 6-bromo-4-methylhex-1-ene.

Molecular Properties

Compound Name6-bromo-4-methylhex-1-ene
PubChem CID13119643
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name6-bromo-4-methylhex-1-ene
SMILESC=CCC(C)CCBr
InChIInChI=1S/C7H13Br/c1-3-4-7(2)5-6-8/h3,7H,1,4-6H2,2H3
InChIKeyAXCLVVKUDJQYRV-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.98
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-4-methylpent-1-ene
CID 72956262
5-Bromo-3-methylpent-1-ene
CID 13149311
4-Bromo-3-methylbut-1-ene
CID 13941567
6-Bromo-3-methylhex-1-ene
CID 13119646
1-Bromo-2-ethyl-3-butene
CID 20074775
3-Bromo-4-methyl-1-pentene
CID 11435120
6-Bromo-5-methylhex-1-ene
CID 13119640
4-(Bromomethyl)-4-methylhex-1-ene
CID 126986663
1-Bromo-4-methyl-1-pentene
CID 72682749
(RS)-2-isopropyl-3-butenyl bromide
CID 10631133
3-(Bromomethyl)-4-methylhex-1-ene
CID 20074780
(r)-2-Methyl-4-pentenyl bromide
CID 11423760

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methylhex-1-ene?
The IUPAC name of 6-bromo-4-methylhex-1-ene (CID 13119643) is 6-bromo-4-methylhex-1-ene.
What is the SMILES notation for 6-bromo-4-methylhex-1-ene?
The canonical SMILES for 6-bromo-4-methylhex-1-ene is C=CCC(C)CCBr.
What is the InChIKey of 6-bromo-4-methylhex-1-ene?
The InChIKey is AXCLVVKUDJQYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-4-7(2)5-6-8/h3,7H,1,4-6H2,2H3.
What are the key properties of 6-bromo-4-methylhex-1-ene?
6-bromo-4-methylhex-1-ene has a molecular weight of 177.08 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methylhex-1-ene is sourced from PubChem (CID 13119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).