4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene

C13H24S2 — CID 10634074

IUPAC4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene
SMILESCCSC1(SCC)C(C)(C)C=CC1(C)C
InChIInChI=1S/C13H24S2/c1-7-14-13(15-8-2)11(3,4)9-10-12(13,5)6/h9-10H,7-8H2,1-6H3
InChIKeyRLMQIBTVNILMOE-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.81
Rot. Bonds4

About 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene

4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene (PubChem CID 10634074) has the molecular formula C13H24S2 and a molecular weight of 244.47 g/mol. Its IUPAC name is 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene.

Molecular Properties

Compound Name4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene
PubChem CID10634074
Molecular FormulaC13H24S2
Molecular Weight244.47 g/mol
Exact Mass244.13
IUPAC Name4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene
SMILESCCSC1(SCC)C(C)(C)C=CC1(C)C
InChIInChI=1S/C13H24S2/c1-7-14-13(15-8-2)11(3,4)9-10-12(13,5)6/h9-10H,7-8H2,1-6H3
InChIKeyRLMQIBTVNILMOE-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene?
The IUPAC name of 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene (CID 10634074) is 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene.
What is the SMILES notation for 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene?
The canonical SMILES for 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene is CCSC1(SCC)C(C)(C)C=CC1(C)C.
What is the InChIKey of 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene?
The InChIKey is RLMQIBTVNILMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S2/c1-7-14-13(15-8-2)11(3,4)9-10-12(13,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene?
4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene has a molecular weight of 244.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethylsulfanyl)-3,3,5,5-tetramethylcyclopentene is sourced from PubChem (CID 10634074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).