3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene

C14H21ClS — CID 63432096

IUPAC3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)CCC2CCCC2)c(C)s1
InChIInChI=1S/C14H21ClS/c1-10-9-13(11(2)16-10)14(15)8-7-12-5-3-4-6-12/h9,12,14H,3-8H2,1-2H3
InChIKeyDZYVESFKXMOCJL-UHFFFAOYSA-N
MW256.84 g/mol
LogP5.62
Rot. Bonds4

About 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene

3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene (PubChem CID 63432096) has the molecular formula C14H21ClS and a molecular weight of 256.84 g/mol. Its IUPAC name is 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene
PubChem CID63432096
Molecular FormulaC14H21ClS
Molecular Weight256.84 g/mol
Exact Mass256.11
IUPAC Name3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)CCC2CCCC2)c(C)s1
InChIInChI=1S/C14H21ClS/c1-10-9-13(11(2)16-10)14(15)8-7-12-5-3-4-6-12/h9,12,14H,3-8H2,1-2H3
InChIKeyDZYVESFKXMOCJL-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.84
LogP ≤ 55.62
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 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene?
The IUPAC name of 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene (CID 63432096) is 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene.
What is the SMILES notation for 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene?
The canonical SMILES for 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene is Cc1cc(C(Cl)CCC2CCCC2)c(C)s1.
What is the InChIKey of 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene?
The InChIKey is DZYVESFKXMOCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClS/c1-10-9-13(11(2)16-10)14(15)8-7-12-5-3-4-6-12/h9,12,14H,3-8H2,1-2H3.
What are the key properties of 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene?
3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene has a molecular weight of 256.84 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene is sourced from PubChem (CID 63432096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).