5-(bromomethyl)-5-ethyldecane

C13H27Br — CID 66050234

IUPAC5-(bromomethyl)-5-ethyldecane
SMILESCCCCCC(CC)(CBr)CCCC
InChIInChI=1S/C13H27Br/c1-4-7-9-11-13(6-3,12-14)10-8-5-2/h4-12H2,1-3H3
InChIKeyIJVMPIUIUHZIMC-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.55
Rot. Bonds9

About 5-(bromomethyl)-5-ethyldecane

5-(bromomethyl)-5-ethyldecane (PubChem CID 66050234) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-(bromomethyl)-5-ethyldecane.

Molecular Properties

Compound Name5-(bromomethyl)-5-ethyldecane
PubChem CID66050234
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name5-(bromomethyl)-5-ethyldecane
SMILESCCCCCC(CC)(CBr)CCCC
InChIInChI=1S/C13H27Br/c1-4-7-9-11-13(6-3,12-14)10-8-5-2/h4-12H2,1-3H3
InChIKeyIJVMPIUIUHZIMC-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

3,3-bis(bromomethyl)pentadecane
CID 79455553
7-butyl-7-ethyltetradecane
CID 174665936
5-(bromomethyl)-5-ethyl-2-methylnonane
CID 66050233
4,4-bis(bromomethyl)undecane
CID 79453128
4-(bromomethyl)-4-ethyl-1-ethylsulfonyloctane
CID 66048272
4,4-diethyloctane;ethane
CID 177031380
10,10-dibutylicosane
CID 151498539
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
3-(bromomethyl)-3-ethyl-1-(2-methylpropoxy)heptane
CID 106459603
6,6-dipentylundecane
CID 19690398
[4-(bromomethyl)-4-ethyloctyl]benzene
CID 66047831
5-(chloromethyl)-5-ethyldodecane
CID 66036047

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-5-ethyldecane?
The IUPAC name of 5-(bromomethyl)-5-ethyldecane (CID 66050234) is 5-(bromomethyl)-5-ethyldecane.
What is the SMILES notation for 5-(bromomethyl)-5-ethyldecane?
The canonical SMILES for 5-(bromomethyl)-5-ethyldecane is CCCCCC(CC)(CBr)CCCC.
What is the InChIKey of 5-(bromomethyl)-5-ethyldecane?
The InChIKey is IJVMPIUIUHZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-4-7-9-11-13(6-3,12-14)10-8-5-2/h4-12H2,1-3H3.
What are the key properties of 5-(bromomethyl)-5-ethyldecane?
5-(bromomethyl)-5-ethyldecane 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 5-(bromomethyl)-5-ethyldecane is sourced from PubChem (CID 66050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).