2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene

C10H14Cl2O2S — CID 98018182

IUPAC2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene
SMILESCOC(CCCCl)(OC)c1ccc(Cl)s1
InChIInChI=1S/C10H14Cl2O2S/c1-13-10(14-2,6-3-7-11)8-4-5-9(12)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeyVZILYPGWCFWRGJ-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.87
Rot. Bonds6

About 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene

2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene (PubChem CID 98018182) has the molecular formula C10H14Cl2O2S and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene
PubChem CID98018182
Molecular FormulaC10H14Cl2O2S
Molecular Weight269.19 g/mol
Exact Mass268.01
IUPAC Name2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene
SMILESCOC(CCCCl)(OC)c1ccc(Cl)s1
InChIInChI=1S/C10H14Cl2O2S/c1-13-10(14-2,6-3-7-11)8-4-5-9(12)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeyVZILYPGWCFWRGJ-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
CID 103465512
4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
CID 66090953
3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839634
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
2-(6-butoxynaphthalen-2-yl)-5-chlorothiophene
CID 139902358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene?
The IUPAC name of 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene (CID 98018182) is 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene.
What is the SMILES notation for 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene?
The canonical SMILES for 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene is COC(CCCCl)(OC)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene?
The InChIKey is VZILYPGWCFWRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2O2S/c1-13-10(14-2,6-3-7-11)8-4-5-9(12)15-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene?
2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene has a molecular weight of 269.19 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene is sourced from PubChem (CID 98018182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).