(3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene

C10H18S — CID 162420446

IUPAC(3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene
SMILESCCSCC[C@@]1(C)C=CCC1
InChIInChI=1S/C10H18S/c1-3-11-9-8-10(2)6-4-5-7-10/h4,6H,3,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyMEIUAWAYRONHRX-JTQLQIEISA-N
MW170.32 g/mol
LogP3.49
Rot. Bonds4

About (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene

(3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene (PubChem CID 162420446) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene.

Molecular Properties

Compound Name(3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene
PubChem CID162420446
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene
SMILESCCSCC[C@@]1(C)C=CCC1
InChIInChI=1S/C10H18S/c1-3-11-9-8-10(2)6-4-5-7-10/h4,6H,3,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyMEIUAWAYRONHRX-JTQLQIEISA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene?
The IUPAC name of (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene (CID 162420446) is (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene.
What is the SMILES notation for (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene?
The canonical SMILES for (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene is CCSCC[C@@]1(C)C=CCC1.
What is the InChIKey of (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene?
The InChIKey is MEIUAWAYRONHRX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18S/c1-3-11-9-8-10(2)6-4-5-7-10/h4,6H,3,5,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene?
(3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene has a molecular weight of 170.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethylsulfanylethyl)-3-methylcyclopentene is sourced from PubChem (CID 162420446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).