2,3-ditert-butyl-4H-cyclopenta[b]thiophene

C15H22S — CID 159148646

IUPAC2,3-ditert-butyl-4H-cyclopenta[b]thiophene
SMILESCC(C)(C)c1sc2c(c1C(C)(C)C)CC=C2
InChIInChI=1S/C15H22S/c1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6/h7,9H,8H2,1-6H3
InChIKeyWOFMIHCHGQEVKZ-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.91
Rot. Bonds

About 2,3-ditert-butyl-4H-cyclopenta[b]thiophene

2,3-ditert-butyl-4H-cyclopenta[b]thiophene (PubChem CID 159148646) has the molecular formula C15H22S and a molecular weight of 234.41 g/mol. Its IUPAC name is 2,3-ditert-butyl-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,3-ditert-butyl-4H-cyclopenta[b]thiophene
PubChem CID159148646
Molecular FormulaC15H22S
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name2,3-ditert-butyl-4H-cyclopenta[b]thiophene
SMILESCC(C)(C)c1sc2c(c1C(C)(C)C)CC=C2
InChIInChI=1S/C15H22S/c1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6/h7,9H,8H2,1-6H3
InChIKeyWOFMIHCHGQEVKZ-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene
CID 167031628
5-tert-butyl-2,3-dihydrothiophene
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CID 102017947
CID 173322329
CID 173322329
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CID 155403668
7-(4-tert-butylphenyl)-1H-indene
CID 91144251
(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
CID 102207082
ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene
CID 142399260
3-tert-butylcyclohexa-2,5-dien-1-one;ethane
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1,8-dihydro-as-indacene
CID 11030043
5,7-ditert-butylthieno[3,4-b]pyrazine
CID 134445588
heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene
CID 58130571

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4H-cyclopenta[b]thiophene?
The IUPAC name of 2,3-ditert-butyl-4H-cyclopenta[b]thiophene (CID 159148646) is 2,3-ditert-butyl-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2,3-ditert-butyl-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2,3-ditert-butyl-4H-cyclopenta[b]thiophene is CC(C)(C)c1sc2c(c1C(C)(C)C)CC=C2.
What is the InChIKey of 2,3-ditert-butyl-4H-cyclopenta[b]thiophene?
The InChIKey is WOFMIHCHGQEVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22S/c1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6/h7,9H,8H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-4H-cyclopenta[b]thiophene?
2,3-ditert-butyl-4H-cyclopenta[b]thiophene has a molecular weight of 234.41 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 159148646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).