3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene

C11H15ClS — CID 102837921

IUPAC3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene
SMILESCc1sccc1CCC(Cl)C1CC1
InChIInChI=1S/C11H15ClS/c1-8-9(6-7-13-8)4-5-11(12)10-2-3-10/h6-7,10-11H,2-5H2,1H3
InChIKeyDSOKWMZKNPIVQS-UHFFFAOYSA-N
MW214.76 g/mol
LogP4.01
Rot. Bonds4

About 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene

3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene (PubChem CID 102837921) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene.

Molecular Properties

Compound Name3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene
PubChem CID102837921
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene
SMILESCc1sccc1CCC(Cl)C1CC1
InChIInChI=1S/C11H15ClS/c1-8-9(6-7-13-8)4-5-11(12)10-2-3-10/h6-7,10-11H,2-5H2,1H3
InChIKeyDSOKWMZKNPIVQS-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 54.01
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-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene?
The IUPAC name of 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene (CID 102837921) is 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene.
What is the SMILES notation for 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene?
The canonical SMILES for 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene is Cc1sccc1CCC(Cl)C1CC1.
What is the InChIKey of 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene?
The InChIKey is DSOKWMZKNPIVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS/c1-8-9(6-7-13-8)4-5-11(12)10-2-3-10/h6-7,10-11H,2-5H2,1H3.
What are the key properties of 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene?
3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene has a molecular weight of 214.76 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene is sourced from PubChem (CID 102837921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).