3-(2-bromo-4,4-dimethylpentyl)thiophene

C11H17BrS — CID 63542905

IUPAC3-(2-bromo-4,4-dimethylpentyl)thiophene
SMILESCC(C)(C)CC(Br)Cc1ccsc1
InChIInChI=1S/C11H17BrS/c1-11(2,3)7-10(12)6-9-4-5-13-8-9/h4-5,8,10H,6-7H2,1-3H3
InChIKeyBOLBJCPZSRDBRR-UHFFFAOYSA-N
MW261.23 g/mol
LogP4.49
Rot. Bonds3

About 3-(2-bromo-4,4-dimethylpentyl)thiophene

3-(2-bromo-4,4-dimethylpentyl)thiophene (PubChem CID 63542905) has the molecular formula C11H17BrS and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-(2-bromo-4,4-dimethylpentyl)thiophene.

Molecular Properties

Compound Name3-(2-bromo-4,4-dimethylpentyl)thiophene
PubChem CID63542905
Molecular FormulaC11H17BrS
Molecular Weight261.23 g/mol
Exact Mass260.02
IUPAC Name3-(2-bromo-4,4-dimethylpentyl)thiophene
SMILESCC(C)(C)CC(Br)Cc1ccsc1
InChIInChI=1S/C11H17BrS/c1-11(2,3)7-10(12)6-9-4-5-13-8-9/h4-5,8,10H,6-7H2,1-3H3
InChIKeyBOLBJCPZSRDBRR-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dibromoethyl)thiophene
CID 174416053
(4S)-2,2,6,6-tetramethyl-4-(thiophen-3-ylmethyl)heptan-3-one
CID 163531190
3-[2-bromo-2-(4-tert-butylphenyl)ethyl]thiophene
CID 63544455
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2-bromoicosyl)thiophene
CID 89438780
1-(2-bromo-4,4-dimethylpentyl)-4-chlorobenzene
CID 63543129
3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
3-(2-bromo-4-cyclohexylbutyl)thiophene
CID 63543076
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2-ethylbutyl)thiophene
CID 89133993
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,4-dimethylpentyl)thiophene?
The IUPAC name of 3-(2-bromo-4,4-dimethylpentyl)thiophene (CID 63542905) is 3-(2-bromo-4,4-dimethylpentyl)thiophene.
What is the SMILES notation for 3-(2-bromo-4,4-dimethylpentyl)thiophene?
The canonical SMILES for 3-(2-bromo-4,4-dimethylpentyl)thiophene is CC(C)(C)CC(Br)Cc1ccsc1.
What is the InChIKey of 3-(2-bromo-4,4-dimethylpentyl)thiophene?
The InChIKey is BOLBJCPZSRDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrS/c1-11(2,3)7-10(12)6-9-4-5-13-8-9/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 3-(2-bromo-4,4-dimethylpentyl)thiophene?
3-(2-bromo-4,4-dimethylpentyl)thiophene has a molecular weight of 261.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,4-dimethylpentyl)thiophene is sourced from PubChem (CID 63542905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).