5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene

C13H22S — CID 15846890

IUPAC5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(SC(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H22S/c1-8-9(2)11(4)12(10(8)3)14-13(5,6)7/h12H,1-7H3
InChIKeyYGFPMSFNKFSOST-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.57
Rot. Bonds1

About 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene

5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 15846890) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID15846890
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(SC(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H22S/c1-8-9(2)11(4)12(10(8)3)14-13(5,6)7/h12H,1-7H3
InChIKeyYGFPMSFNKFSOST-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
CID 14064506
4-Ethyl-5-methyl-2,3-dihydrothiophene
CID 15709709
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
(2Z)-2-heptan-3-ylidenethiolane
CID 134996419
(2E)-2-heptan-3-ylidenethiolane
CID 135075642
Butyl furfuryl sulfide
CID 528325
Furfuryl pentyl sulfide
CID 528329
(6Z)-6,7,9-trimethyl-2,3,4,5,8,9-hexahydrothionine
CID 12819902

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 15846890) is 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(SC(C)(C)C)C(C)=C1C.
What is the InChIKey of 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is YGFPMSFNKFSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-8-9(2)11(4)12(10(8)3)14-13(5,6)7/h12H,1-7H3.
What are the key properties of 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 210.39 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 15846890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).