2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane

C14H18OS — CID 82476052

IUPAC2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane
SMILESCC1(c2ccc(SC3CCCC3)cc2)CO1
InChIInChI=1S/C14H18OS/c1-14(10-15-14)11-6-8-13(9-7-11)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3
InChIKeyUVZIIASYQDRZNC-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane

2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane (PubChem CID 82476052) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane
PubChem CID82476052
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane
SMILESCC1(c2ccc(SC3CCCC3)cc2)CO1
InChIInChI=1S/C14H18OS/c1-14(10-15-14)11-6-8-13(9-7-11)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3
InChIKeyUVZIIASYQDRZNC-UHFFFAOYSA-N
XLogP3.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane?
The IUPAC name of 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane (CID 82476052) is 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane.
What is the SMILES notation for 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane?
The canonical SMILES for 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane is CC1(c2ccc(SC3CCCC3)cc2)CO1.
What is the InChIKey of 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane?
The InChIKey is UVZIIASYQDRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-14(10-15-14)11-6-8-13(9-7-11)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3.
What are the key properties of 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane?
2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane has a molecular weight of 234.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfanylphenyl)-2-methyloxirane is sourced from PubChem (CID 82476052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).