1-bromo-2-(bromomethyl)-4-ethyloctane

C11H22Br2 — CID 79453093

IUPAC1-bromo-2-(bromomethyl)-4-ethyloctane
SMILESCCCCC(CC)CC(CBr)CBr
InChIInChI=1S/C11H22Br2/c1-3-5-6-10(4-2)7-11(8-12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyQSOAZQNVBHLJHM-UHFFFAOYSA-N
MW314.11 g/mol
LogP5.00
Rot. Bonds8

About 1-bromo-2-(bromomethyl)-4-ethyloctane

1-bromo-2-(bromomethyl)-4-ethyloctane (PubChem CID 79453093) has the molecular formula C11H22Br2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-ethyloctane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-ethyloctane
PubChem CID79453093
Molecular FormulaC11H22Br2
Molecular Weight314.11 g/mol
Exact Mass312.01
IUPAC Name1-bromo-2-(bromomethyl)-4-ethyloctane
SMILESCCCCC(CC)CC(CBr)CBr
InChIInChI=1S/C11H22Br2/c1-3-5-6-10(4-2)7-11(8-12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyQSOAZQNVBHLJHM-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 55.00
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

(5S)-3,5-diethylnonane;methane
CID 159387669
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,8,10-triethylpentadecane
CID 123791231
4-(bromomethyl)octane
CID 24880888
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
2-(bromomethyl)-4-ethyloctanenitrile
CID 55162459
(5S)-5-(bromomethyl)undecane
CID 86333132
azane;4-(bromomethyl)octane
CID 88699989
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-ethyloctane?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-ethyloctane (CID 79453093) is 1-bromo-2-(bromomethyl)-4-ethyloctane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-ethyloctane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-ethyloctane is CCCCC(CC)CC(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-ethyloctane?
The InChIKey is QSOAZQNVBHLJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br2/c1-3-5-6-10(4-2)7-11(8-12)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-bromo-2-(bromomethyl)-4-ethyloctane?
1-bromo-2-(bromomethyl)-4-ethyloctane has a molecular weight of 314.11 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-4-ethyloctane is sourced from PubChem (CID 79453093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).