1-bromo-10-methyldodecane

C13H27Br — CID 15569726

IUPAC1-bromo-10-methyldodecane
SMILESCCC(C)CCCCCCCCCBr
InChIInChI=1S/C13H27Br/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h13H,3-12H2,1-2H3
InChIKeyFQOCWCFPCYMAJQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.55
Rot. Bonds10

About 1-bromo-10-methyldodecane

1-bromo-10-methyldodecane (PubChem CID 15569726) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-bromo-10-methyldodecane.

Molecular Properties

Compound Name1-bromo-10-methyldodecane
PubChem CID15569726
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name1-bromo-10-methyldodecane
SMILESCCC(C)CCCCCCCCCBr
InChIInChI=1S/C13H27Br/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h13H,3-12H2,1-2H3
InChIKeyFQOCWCFPCYMAJQ-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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

(Z)-1-bromo-11-methyltridec-5-ene
CID 11108579
1-bromo-10-methyltetradecane
CID 170440357
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
1-bromo-4-methyldecane
CID 14069922
(3R,7R)-3,7-dimethylnonane
CID 42626759
3,13,19-trimethylheptatriacontane
CID 172565400
3-ethyl-10-methyldodecane
CID 54169175
3,17-dimethylheptatriacontane
CID 6431061

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-methyldodecane?
The IUPAC name of 1-bromo-10-methyldodecane (CID 15569726) is 1-bromo-10-methyldodecane.
What is the SMILES notation for 1-bromo-10-methyldodecane?
The canonical SMILES for 1-bromo-10-methyldodecane is CCC(C)CCCCCCCCCBr.
What is the InChIKey of 1-bromo-10-methyldodecane?
The InChIKey is FQOCWCFPCYMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-bromo-10-methyldodecane?
1-bromo-10-methyldodecane has a molecular weight of 263.26 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-methyldodecane is sourced from PubChem (CID 15569726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).