4-(bromomethyl)-4-methylhex-1-ene

C8H15Br — CID 126986663

IUPAC4-(bromomethyl)-4-methylhex-1-ene
SMILESC=CCC(C)(CC)CBr
InChIInChI=1S/C8H15Br/c1-4-6-8(3,5-2)7-9/h4H,1,5-7H2,2-3H3
InChIKeyAEPYCWIJOMGNBW-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds4

About 4-(bromomethyl)-4-methylhex-1-ene

4-(bromomethyl)-4-methylhex-1-ene (PubChem CID 126986663) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 4-(bromomethyl)-4-methylhex-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-4-methylhex-1-ene
PubChem CID126986663
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name4-(bromomethyl)-4-methylhex-1-ene
SMILESC=CCC(C)(CC)CBr
InChIInChI=1S/C8H15Br/c1-4-6-8(3,5-2)7-9/h4H,1,5-7H2,2-3H3
InChIKeyAEPYCWIJOMGNBW-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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 4-(bromomethyl)-4-methylhex-1-ene?
The IUPAC name of 4-(bromomethyl)-4-methylhex-1-ene (CID 126986663) is 4-(bromomethyl)-4-methylhex-1-ene.
What is the SMILES notation for 4-(bromomethyl)-4-methylhex-1-ene?
The canonical SMILES for 4-(bromomethyl)-4-methylhex-1-ene is C=CCC(C)(CC)CBr.
What is the InChIKey of 4-(bromomethyl)-4-methylhex-1-ene?
The InChIKey is AEPYCWIJOMGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-4-6-8(3,5-2)7-9/h4H,1,5-7H2,2-3H3.
What are the key properties of 4-(bromomethyl)-4-methylhex-1-ene?
4-(bromomethyl)-4-methylhex-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-methylhex-1-ene is sourced from PubChem (CID 126986663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).