4,4-dibromo-2-methyltridecane

C14H28Br2 — CID 150687022

IUPAC4,4-dibromo-2-methyltridecane
SMILESCCCCCCCCCC(Br)(Br)CC(C)C
InChIInChI=1S/C14H28Br2/c1-4-5-6-7-8-9-10-11-14(15,16)12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyJJBRFSBJVTWIEG-UHFFFAOYSA-N
MW356.19 g/mol
LogP6.66
Rot. Bonds10

About 4,4-dibromo-2-methyltridecane

4,4-dibromo-2-methyltridecane (PubChem CID 150687022) has the molecular formula C14H28Br2 and a molecular weight of 356.19 g/mol. Its IUPAC name is 4,4-dibromo-2-methyltridecane.

Molecular Properties

Compound Name4,4-dibromo-2-methyltridecane
PubChem CID150687022
Molecular FormulaC14H28Br2
Molecular Weight356.19 g/mol
Exact Mass354.06
IUPAC Name4,4-dibromo-2-methyltridecane
SMILESCCCCCCCCCC(Br)(Br)CC(C)C
InChIInChI=1S/C14H28Br2/c1-4-5-6-7-8-9-10-11-14(15,16)12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyJJBRFSBJVTWIEG-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.19
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-diiodo-2-methyltridecane
CID 150045572
4-bromo-2-methyl-4-(2-methylpropyl)octane
CID 175058351
4-ethyl-2,4-dimethylundecane
CID 22481197
pentacontane;2,2,4-trimethylpentane
CID 174882537
4-(2,4-dimethyloctadecan-4-yloxy)-2,4-dimethyloctadecane
CID 87666384
12-bromo-12-undecyltricosane
CID 88743185
1,1,1-tribromononadecane
CID 118275809
1,1,1-tribromopentadecane
CID 118275781
2,4-dimethylnonan-4-ol
CID 3018500
9-bromo-9-methylhenicosane
CID 155906452
azane;2,3-dibromo-3-methylnonadecane
CID 172763746
2-methyl-5-[2-methyl-5-(2-methylpropyl)hexadecan-5-yl]oxy-5-(2-methylpropyl)hexadecane
CID 140985086

Frequently Asked Questions

What is the IUPAC name of 4,4-dibromo-2-methyltridecane?
The IUPAC name of 4,4-dibromo-2-methyltridecane (CID 150687022) is 4,4-dibromo-2-methyltridecane.
What is the SMILES notation for 4,4-dibromo-2-methyltridecane?
The canonical SMILES for 4,4-dibromo-2-methyltridecane is CCCCCCCCCC(Br)(Br)CC(C)C.
What is the InChIKey of 4,4-dibromo-2-methyltridecane?
The InChIKey is JJBRFSBJVTWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Br2/c1-4-5-6-7-8-9-10-11-14(15,16)12-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 4,4-dibromo-2-methyltridecane?
4,4-dibromo-2-methyltridecane has a molecular weight of 356.19 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibromo-2-methyltridecane is sourced from PubChem (CID 150687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).