4-bromo-3-(bromomethyl)heptane

C8H16Br2 — CID 131843184

IUPAC4-bromo-3-(bromomethyl)heptane
SMILESCCCC(Br)C(CC)CBr
InChIInChI=1S/C8H16Br2/c1-3-5-8(10)7(4-2)6-9/h7-8H,3-6H2,1-2H3
InChIKeyXOSJRECIDIPRPY-UHFFFAOYSA-N
MW272.02 g/mol
LogP3.97
Rot. Bonds5

About 4-bromo-3-(bromomethyl)heptane

4-bromo-3-(bromomethyl)heptane (PubChem CID 131843184) has the molecular formula C8H16Br2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 4-bromo-3-(bromomethyl)heptane.

Molecular Properties

Compound Name4-bromo-3-(bromomethyl)heptane
PubChem CID131843184
Molecular FormulaC8H16Br2
Molecular Weight272.02 g/mol
Exact Mass269.96
IUPAC Name4-bromo-3-(bromomethyl)heptane
SMILESCCCC(Br)C(CC)CBr
InChIInChI=1S/C8H16Br2/c1-3-5-8(10)7(4-2)6-9/h7-8H,3-6H2,1-2H3
InChIKeyXOSJRECIDIPRPY-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 53.97
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

4-bromo-5-propyloctane
CID 83050425
10-bromo-9-(bromomethyl)nonadecane
CID 175002797
3,4-diethylheptane;ethane
CID 144734225
4,5-diethyloctane
CID 519254
3-bromohexane
CID 18806
tris(3,4-diethylheptane);methane
CID 160558798
(4S,5S)-5-bromooctan-4-ol
CID 101139699
3-(dibromomethyl)heptane
CID 87164380
4-bromo-2,3-dimethylheptane
CID 83051461
3,4-diethylhexane;ethane
CID 178112158
azane;3-bromohexan-2-ol
CID 174944602
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(bromomethyl)heptane?
The IUPAC name of 4-bromo-3-(bromomethyl)heptane (CID 131843184) is 4-bromo-3-(bromomethyl)heptane.
What is the SMILES notation for 4-bromo-3-(bromomethyl)heptane?
The canonical SMILES for 4-bromo-3-(bromomethyl)heptane is CCCC(Br)C(CC)CBr.
What is the InChIKey of 4-bromo-3-(bromomethyl)heptane?
The InChIKey is XOSJRECIDIPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2/c1-3-5-8(10)7(4-2)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-3-(bromomethyl)heptane?
4-bromo-3-(bromomethyl)heptane has a molecular weight of 272.02 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(bromomethyl)heptane is sourced from PubChem (CID 131843184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).