4-bromo-2-methyl-4-(2-methylpropyl)octane

C13H27Br — CID 175058351

IUPAC4-bromo-2-methyl-4-(2-methylpropyl)octane
SMILESCCCCC(Br)(CC(C)C)CC(C)C
InChIInChI=1S/C13H27Br/c1-6-7-8-13(14,9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyZPPTXPHYZRHQAA-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.40
Rot. Bonds7

About 4-bromo-2-methyl-4-(2-methylpropyl)octane

4-bromo-2-methyl-4-(2-methylpropyl)octane (PubChem CID 175058351) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-bromo-2-methyl-4-(2-methylpropyl)octane.

Molecular Properties

Compound Name4-bromo-2-methyl-4-(2-methylpropyl)octane
PubChem CID175058351
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name4-bromo-2-methyl-4-(2-methylpropyl)octane
SMILESCCCCC(Br)(CC(C)C)CC(C)C
InChIInChI=1S/C13H27Br/c1-6-7-8-13(14,9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyZPPTXPHYZRHQAA-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.26
LogP ≤ 55.40
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

5-bromo-5-butylnonane
CID 23146783
3-bromo-3-ethylheptane
CID 13112056
5-(2-methylpropyl)nonan-5-amine
CID 88761377
4,4-dibromo-2-methyltridecane
CID 150687022
2,4-dimethyl-4-propyloctane
CID 57491235
12-bromo-12-undecyltricosane
CID 88743185
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
silane;1,1,1-tribromopentane
CID 158012938
pentacontane;2,2,4-trimethylpentane
CID 174882537
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
4,4-diiodo-2-methyltridecane
CID 150045572
2,4-dimethylnonan-4-ol
CID 3018500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-4-(2-methylpropyl)octane?
The IUPAC name of 4-bromo-2-methyl-4-(2-methylpropyl)octane (CID 175058351) is 4-bromo-2-methyl-4-(2-methylpropyl)octane.
What is the SMILES notation for 4-bromo-2-methyl-4-(2-methylpropyl)octane?
The canonical SMILES for 4-bromo-2-methyl-4-(2-methylpropyl)octane is CCCCC(Br)(CC(C)C)CC(C)C.
What is the InChIKey of 4-bromo-2-methyl-4-(2-methylpropyl)octane?
The InChIKey is ZPPTXPHYZRHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-6-7-8-13(14,9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-bromo-2-methyl-4-(2-methylpropyl)octane?
4-bromo-2-methyl-4-(2-methylpropyl)octane has a molecular weight of 263.26 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-4-(2-methylpropyl)octane is sourced from PubChem (CID 175058351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).