[(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene

C15H20OS — CID 10562538

IUPAC[(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene
SMILESCSC1=CCC(C)(C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H20OS/c1-15(2)10-9-13(17-3)14(15)16-11-12-7-5-4-6-8-12/h4-9,14H,10-11H2,1-3H3/t14-/m1/s1
InChIKeyPDUJHPSEFHEGAJ-CQSZACIVSA-N
MW248.39 g/mol
LogP4.25
Rot. Bonds4

About [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene

[(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene (PubChem CID 10562538) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene
PubChem CID10562538
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name[(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene
SMILESCSC1=CCC(C)(C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H20OS/c1-15(2)10-9-13(17-3)14(15)16-11-12-7-5-4-6-8-12/h4-9,14H,10-11H2,1-3H3/t14-/m1/s1
InChIKeyPDUJHPSEFHEGAJ-CQSZACIVSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene?
The IUPAC name of [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene (CID 10562538) is [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene.
What is the SMILES notation for [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene?
The canonical SMILES for [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene is CSC1=CCC(C)(C)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene?
The InChIKey is PDUJHPSEFHEGAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20OS/c1-15(2)10-9-13(17-3)14(15)16-11-12-7-5-4-6-8-12/h4-9,14H,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene?
[(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene has a molecular weight of 248.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl]oxymethylbenzene is sourced from PubChem (CID 10562538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).