4-(bromomethyl)octane

C9H19Br — CID 24880888

IUPAC4-(bromomethyl)octane
SMILESCCCCC(CBr)CCC
InChIInChI=1S/C9H19Br/c1-3-5-7-9(8-10)6-4-2/h9H,3-8H2,1-2H3
InChIKeyPCKNMWBAWHLEJF-UHFFFAOYSA-N
MW207.15 g/mol
LogP3.99
Rot. Bonds6

About 4-(bromomethyl)octane

4-(bromomethyl)octane (PubChem CID 24880888) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-(bromomethyl)octane.

Molecular Properties

Compound Name4-(bromomethyl)octane
PubChem CID24880888
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name4-(bromomethyl)octane
SMILESCCCCC(CBr)CCC
InChIInChI=1S/C9H19Br/c1-3-5-7-9(8-10)6-4-2/h9H,3-8H2,1-2H3
InChIKeyPCKNMWBAWHLEJF-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

azane;4-(bromomethyl)octane
CID 88699989
4-(bromomethyl)tridecane
CID 66049847
(5S)-5-(bromomethyl)undecane
CID 86333132
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093
6-butyl-4,8-dipropylundecane
CID 158410657
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
ethane;2-methyl-5-propylnonane
CID 171073854
4,5-dipropylnonane;5-propylnonane
CID 157465342
15-propylpentatriacontane
CID 91540514

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)octane?
The IUPAC name of 4-(bromomethyl)octane (CID 24880888) is 4-(bromomethyl)octane.
What is the SMILES notation for 4-(bromomethyl)octane?
The canonical SMILES for 4-(bromomethyl)octane is CCCCC(CBr)CCC.
What is the InChIKey of 4-(bromomethyl)octane?
The InChIKey is PCKNMWBAWHLEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br/c1-3-5-7-9(8-10)6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 4-(bromomethyl)octane?
4-(bromomethyl)octane has a molecular weight of 207.15 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)octane is sourced from PubChem (CID 24880888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).