2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene

C15H22Cl2S — CID 102764676

IUPAC2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2(CC(C)C)CCCC2)sc1Cl
InChIInChI=1S/C15H22Cl2S/c1-10(2)9-15(6-4-5-7-15)13(16)12-8-11(3)14(17)18-12/h8,10,13H,4-7,9H2,1-3H3
InChIKeyJZUHFBOSHIULHC-UHFFFAOYSA-N
MW305.31 g/mol
LogP6.60
Rot. Bonds4

About 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene

2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene (PubChem CID 102764676) has the molecular formula C15H22Cl2S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene
PubChem CID102764676
Molecular FormulaC15H22Cl2S
Molecular Weight305.31 g/mol
Exact Mass304.08
IUPAC Name2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2(CC(C)C)CCCC2)sc1Cl
InChIInChI=1S/C15H22Cl2S/c1-10(2)9-15(6-4-5-7-15)13(16)12-8-11(3)14(17)18-12/h8,10,13H,4-7,9H2,1-3H3
InChIKeyJZUHFBOSHIULHC-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.31
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene (CID 102764676) is 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene is Cc1cc(C(Cl)C2(CC(C)C)CCCC2)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene?
The InChIKey is JZUHFBOSHIULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2S/c1-10(2)9-15(6-4-5-7-15)13(16)12-8-11(3)14(17)18-12/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene?
2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene has a molecular weight of 305.31 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene is sourced from PubChem (CID 102764676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).