3-bromo-2-methyldodecane

C13H27Br — CID 63470480

IUPAC3-bromo-2-methyldodecane
SMILESCCCCCCCCCC(Br)C(C)C
InChIInChI=1S/C13H27Br/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyTVFMWYYZKKBGKJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.55
Rot. Bonds9

About 3-bromo-2-methyldodecane

3-bromo-2-methyldodecane (PubChem CID 63470480) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-bromo-2-methyldodecane.

Molecular Properties

Compound Name3-bromo-2-methyldodecane
PubChem CID63470480
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name3-bromo-2-methyldodecane
SMILESCCCCCCCCCC(Br)C(C)C
InChIInChI=1S/C13H27Br/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyTVFMWYYZKKBGKJ-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.26
LogP ≤ 55.55
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

3-bromo-2-methyldecane
CID 63470479
3-bromo-7-ethyl-2-methylundecane
CID 64508771
3-bromo-4-methyldecane
CID 63560897
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2-bromo-3-methylundecane
CID 63470862
6-bromo-5-propyltridecane
CID 174956937
10-bromo-9-(bromomethyl)nonadecane
CID 175002797
8-propan-2-ylpentadecane
CID 153475308
2-methyl-3-propan-2-yltetradecane
CID 154298453
6-propan-2-yltridecane
CID 123704479
2,3-dimethylnonacosane
CID 71331945

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyldodecane?
The IUPAC name of 3-bromo-2-methyldodecane (CID 63470480) is 3-bromo-2-methyldodecane.
What is the SMILES notation for 3-bromo-2-methyldodecane?
The canonical SMILES for 3-bromo-2-methyldodecane is CCCCCCCCCC(Br)C(C)C.
What is the InChIKey of 3-bromo-2-methyldodecane?
The InChIKey is TVFMWYYZKKBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-bromo-2-methyldodecane?
3-bromo-2-methyldodecane has a molecular weight of 263.26 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyldodecane is sourced from PubChem (CID 63470480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).