3-(bromomethyl)-5-methylhex-1-ene

C8H15Br — CID 42599682

IUPAC3-(bromomethyl)-5-methylhex-1-ene
SMILESC=CC(CBr)CC(C)C
InChIInChI=1S/C8H15Br/c1-4-8(6-9)5-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyJSANQUHMLNPBNN-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.23
Rot. Bonds4

About 3-(bromomethyl)-5-methylhex-1-ene

3-(bromomethyl)-5-methylhex-1-ene (PubChem CID 42599682) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methylhex-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-5-methylhex-1-ene
PubChem CID42599682
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name3-(bromomethyl)-5-methylhex-1-ene
SMILESC=CC(CBr)CC(C)C
InChIInChI=1S/C8H15Br/c1-4-8(6-9)5-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyJSANQUHMLNPBNN-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.23
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

1-Hexene, 6-bromo-5,5-dimethyl-
CID 10330181
5-Bromo-4-methylpent-1-ene
CID 72956262
5-Bromo-3-methylpent-1-ene
CID 13149311
6-Bromo-3-methylhex-1-ene
CID 13119646
5-Bromo-5-methylhex-1-ene
CID 14027481
6-Bromo-6-methyl-1-heptene
CID 14248212
1-Bromo-2-ethyl-3-butene
CID 20074775
3-Bromo-4-methyl-1-pentene
CID 11435120
6-Bromo-5-methylhex-1-ene
CID 13119640
1-Bromo-4-methyl-1-pentene
CID 72682749
(RS)-2-isopropyl-3-butenyl bromide
CID 10631133
6-Bromo-4-methylhex-1-ene
CID 13119643

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-methylhex-1-ene?
The IUPAC name of 3-(bromomethyl)-5-methylhex-1-ene (CID 42599682) is 3-(bromomethyl)-5-methylhex-1-ene.
What is the SMILES notation for 3-(bromomethyl)-5-methylhex-1-ene?
The canonical SMILES for 3-(bromomethyl)-5-methylhex-1-ene is C=CC(CBr)CC(C)C.
What is the InChIKey of 3-(bromomethyl)-5-methylhex-1-ene?
The InChIKey is JSANQUHMLNPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-4-8(6-9)5-7(2)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 3-(bromomethyl)-5-methylhex-1-ene?
3-(bromomethyl)-5-methylhex-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methylhex-1-ene is sourced from PubChem (CID 42599682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).