2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene

C14H19Br — CID 102642324

IUPAC2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene
SMILESC=CC(C)(CBr)Cc1c(C)cccc1C
InChIInChI=1S/C14H19Br/c1-5-14(4,10-15)9-13-11(2)7-6-8-12(13)3/h5-8H,1,9-10H2,2-4H3
InChIKeyXCSVTLIKIBAANT-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.43
Rot. Bonds4

About 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene

2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene (PubChem CID 102642324) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene
PubChem CID102642324
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene
SMILESC=CC(C)(CBr)Cc1c(C)cccc1C
InChIInChI=1S/C14H19Br/c1-5-14(4,10-15)9-13-11(2)7-6-8-12(13)3/h5-8H,1,9-10H2,2-4H3
InChIKeyXCSVTLIKIBAANT-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene
CID 102642184
1-bromo-2-[2-(bromomethyl)-2-methylbut-3-enyl]benzene
CID 102642227
2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
CID 102640281
1-bromo-2-methylbut-3-en-2-ol
CID 551234
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,4-dichlorobenzene
CID 102642341
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methylbenzene
CID 102642000
2-bromo-4-[2-(bromomethyl)-2-methylbut-3-enyl]-1-fluorobenzene
CID 102642170
2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
CID 102642172
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
CID 142146831
3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
CID 102642270
[4-(bromomethyl)-4-methylhex-5-enoxy]benzene
CID 102642192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene (CID 102642324) is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene is C=CC(C)(CBr)Cc1c(C)cccc1C.
What is the InChIKey of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene?
The InChIKey is XCSVTLIKIBAANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-5-14(4,10-15)9-13-11(2)7-6-8-12(13)3/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene?
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene is sourced from PubChem (CID 102642324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).