3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene

C11H15BrS — CID 102642270

IUPAC3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
SMILESC=CC(C)(CBr)CCc1ccsc1
InChIInChI=1S/C11H15BrS/c1-3-11(2,9-12)6-4-10-5-7-13-8-10/h3,5,7-8H,1,4,6,9H2,2H3
InChIKeyALGKRTFDHVMSCR-UHFFFAOYSA-N
MW259.21 g/mol
LogP4.27
Rot. Bonds5

About 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene

3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene (PubChem CID 102642270) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene.

Molecular Properties

Compound Name3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
PubChem CID102642270
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
SMILESC=CC(C)(CBr)CCc1ccsc1
InChIInChI=1S/C11H15BrS/c1-3-11(2,9-12)6-4-10-5-7-13-8-10/h3,5,7-8H,1,4,6,9H2,2H3
InChIKeyALGKRTFDHVMSCR-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
CID 102640556
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
3-(6,6-dimethylheptyl)thiophene
CID 174801737
5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
CID 103018712
3-(2-ethenoxyethyl)thiophene
CID 70162385
azane;3-(6,6-dimethylheptyl)thiophene
CID 174801736
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
3-[3-(chloromethyl)-3-ethylpentyl]thiophene
CID 66034934
azane;3-propylthiophene
CID 174446539

Frequently Asked Questions

What is the IUPAC name of 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene?
The IUPAC name of 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene (CID 102642270) is 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene.
What is the SMILES notation for 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene?
The canonical SMILES for 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene is C=CC(C)(CBr)CCc1ccsc1.
What is the InChIKey of 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene?
The InChIKey is ALGKRTFDHVMSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS/c1-3-11(2,9-12)6-4-10-5-7-13-8-10/h3,5,7-8H,1,4,6,9H2,2H3.
What are the key properties of 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene?
3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene has a molecular weight of 259.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene is sourced from PubChem (CID 102642270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).