3-(bromomethyl)-3-methyldodec-1-ene

C14H27Br — CID 102642280

IUPAC3-(bromomethyl)-3-methyldodec-1-ene
SMILESC=CC(C)(CBr)CCCCCCCCC
InChIInChI=1S/C14H27Br/c1-4-6-7-8-9-10-11-12-14(3,5-2)13-15/h5H,2,4,6-13H2,1,3H3
InChIKeyLUPYDKPTXXYBMD-UHFFFAOYSA-N
MW275.27 g/mol
LogP5.71
Rot. Bonds10

About 3-(bromomethyl)-3-methyldodec-1-ene

3-(bromomethyl)-3-methyldodec-1-ene (PubChem CID 102642280) has the molecular formula C14H27Br and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-(bromomethyl)-3-methyldodec-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-3-methyldodec-1-ene
PubChem CID102642280
Molecular FormulaC14H27Br
Molecular Weight275.27 g/mol
Exact Mass274.13
IUPAC Name3-(bromomethyl)-3-methyldodec-1-ene
SMILESC=CC(C)(CBr)CCCCCCCCC
InChIInChI=1S/C14H27Br/c1-4-6-7-8-9-10-11-12-14(3,5-2)13-15/h5H,2,4,6-13H2,1,3H3
InChIKeyLUPYDKPTXXYBMD-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.27
LogP ≤ 55.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,2-dimethyldecane
CID 66048838
3-(bromomethyl)-3-methyl-5-propylsulfonylpent-1-ene
CID 106734734
(2-ethenyl-2-methylhexoxy)silane
CID 123196667
(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
2-chloro-2-methylundecane;ethene
CID 158323150
ethane;prop-1-ene;undecane
CID 171541850
3-ethoxy-3-methyldodec-1-ene
CID 160659750
4-ethyl-4-methylnon-2-ene
CID 123220710
ethene;undecane
CID 161157037
N-(2-ethenyl-2-methylhexyl)cyclopropanamine
CID 102641141
9-bromo-9-methylhenicosane
CID 155906452
(Z)-4-ethyl-4-methyldodec-2-en-1-amine
CID 126727185

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-methyldodec-1-ene?
The IUPAC name of 3-(bromomethyl)-3-methyldodec-1-ene (CID 102642280) is 3-(bromomethyl)-3-methyldodec-1-ene.
What is the SMILES notation for 3-(bromomethyl)-3-methyldodec-1-ene?
The canonical SMILES for 3-(bromomethyl)-3-methyldodec-1-ene is C=CC(C)(CBr)CCCCCCCCC.
What is the InChIKey of 3-(bromomethyl)-3-methyldodec-1-ene?
The InChIKey is LUPYDKPTXXYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Br/c1-4-6-7-8-9-10-11-12-14(3,5-2)13-15/h5H,2,4,6-13H2,1,3H3.
What are the key properties of 3-(bromomethyl)-3-methyldodec-1-ene?
3-(bromomethyl)-3-methyldodec-1-ene has a molecular weight of 275.27 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-methyldodec-1-ene is sourced from PubChem (CID 102642280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).