2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene

C11H16Cl2S — CID 102764764

IUPAC2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene
SMILESCCCC(C)C(Cl)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H16Cl2S/c1-4-5-7(2)10(12)9-6-8(3)11(13)14-9/h6-7,10H,4-5H2,1-3H3
InChIKeyBVBBDYNPINHLOL-UHFFFAOYSA-N
MW251.22 g/mol
LogP5.43
Rot. Bonds4

About 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene

2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene (PubChem CID 102764764) has the molecular formula C11H16Cl2S and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene
PubChem CID102764764
Molecular FormulaC11H16Cl2S
Molecular Weight251.22 g/mol
Exact Mass250.03
IUPAC Name2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene
SMILESCCCC(C)C(Cl)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H16Cl2S/c1-4-5-7(2)10(12)9-6-8(3)11(13)14-9/h6-7,10H,4-5H2,1-3H3
InChIKeyBVBBDYNPINHLOL-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.22
LogP ≤ 55.43
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

1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
2-(1-chloro-2-methylpentyl)-5-ethylthiophene
CID 63431274
1-(5-chloro-4-methylthiophen-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 102764092
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
CID 102764036
5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
CID 79992174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene?
The IUPAC name of 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene (CID 102764764) is 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene?
The canonical SMILES for 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene is CCCC(C)C(Cl)c1cc(C)c(Cl)s1.
What is the InChIKey of 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene?
The InChIKey is BVBBDYNPINHLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2S/c1-4-5-7(2)10(12)9-6-8(3)11(13)14-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene?
2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene has a molecular weight of 251.22 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene is sourced from PubChem (CID 102764764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).