4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene

C9H15ClS — CID 165443637

IUPAC4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene
SMILESCSCCC1(CCl)CC=CC1
InChIInChI=1S/C9H15ClS/c1-11-7-6-9(8-10)4-2-3-5-9/h2-3H,4-8H2,1H3
InChIKeyMVUFPOQRROREQW-UHFFFAOYSA-N
MW190.74 g/mol
LogP3.31
Rot. Bonds4

About 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene

4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene (PubChem CID 165443637) has the molecular formula C9H15ClS and a molecular weight of 190.74 g/mol. Its IUPAC name is 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene.

Molecular Properties

Compound Name4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene
PubChem CID165443637
Molecular FormulaC9H15ClS
Molecular Weight190.74 g/mol
Exact Mass190.06
IUPAC Name4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene
SMILESCSCCC1(CCl)CC=CC1
InChIInChI=1S/C9H15ClS/c1-11-7-6-9(8-10)4-2-3-5-9/h2-3H,4-8H2,1H3
InChIKeyMVUFPOQRROREQW-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.74
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene?
The IUPAC name of 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene (CID 165443637) is 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene.
What is the SMILES notation for 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene?
The canonical SMILES for 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene is CSCCC1(CCl)CC=CC1.
What is the InChIKey of 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene?
The InChIKey is MVUFPOQRROREQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClS/c1-11-7-6-9(8-10)4-2-3-5-9/h2-3H,4-8H2,1H3.
What are the key properties of 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene?
4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene has a molecular weight of 190.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene is sourced from PubChem (CID 165443637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).