3-(bromomethyl)-4-methylpent-1-ene

C7H13Br — CID 10631133

IUPAC3-(bromomethyl)-4-methylpent-1-ene
SMILESC=CC(CBr)C(C)C
InChIInChI=1S/C7H13Br/c1-4-7(5-8)6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyDIDHQIXTRHHLEY-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.84
Rot. Bonds3

About 3-(bromomethyl)-4-methylpent-1-ene

3-(bromomethyl)-4-methylpent-1-ene (PubChem CID 10631133) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 3-(bromomethyl)-4-methylpent-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-4-methylpent-1-ene
PubChem CID10631133
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name3-(bromomethyl)-4-methylpent-1-ene
SMILESC=CC(CBr)C(C)C
InChIInChI=1S/C7H13Br/c1-4-7(5-8)6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyDIDHQIXTRHHLEY-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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 3-(bromomethyl)-4-methylpent-1-ene?
The IUPAC name of 3-(bromomethyl)-4-methylpent-1-ene (CID 10631133) is 3-(bromomethyl)-4-methylpent-1-ene.
What is the SMILES notation for 3-(bromomethyl)-4-methylpent-1-ene?
The canonical SMILES for 3-(bromomethyl)-4-methylpent-1-ene is C=CC(CBr)C(C)C.
What is the InChIKey of 3-(bromomethyl)-4-methylpent-1-ene?
The InChIKey is DIDHQIXTRHHLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-4-7(5-8)6(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 3-(bromomethyl)-4-methylpent-1-ene?
3-(bromomethyl)-4-methylpent-1-ene has a molecular weight of 177.08 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-methylpent-1-ene is sourced from PubChem (CID 10631133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).