2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide

C15H24OS — CID 176866308

IUPAC2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide
SMILESCC(C)(C)C1=C(C(C)(C)C)S(=O)C2=C1CCC2
InChIInChI=1S/C15H24OS/c1-14(2,3)12-10-8-7-9-11(10)17(16)13(12)15(4,5)6/h7-9H2,1-6H3
InChIKeyIDWREOZWPDUWEB-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.53
Rot. Bonds

About 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide

2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide (PubChem CID 176866308) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide.

Molecular Properties

Compound Name2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide
PubChem CID176866308
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide
SMILESCC(C)(C)C1=C(C(C)(C)C)S(=O)C2=C1CCC2
InChIInChI=1S/C15H24OS/c1-14(2,3)12-10-8-7-9-11(10)17(16)13(12)15(4,5)6/h7-9H2,1-6H3
InChIKeyIDWREOZWPDUWEB-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten
CID 158615083
7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide
CID 176868391
tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
7,7-dimethoxy-1,2,3,4,5,6-hexahydrocyclopenta[a]pentalene
CID 590669
3,4-ditert-butyl-2,5-dihydrothiophene 1-oxide
CID 58778251
(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
CID 122452595
2-tert-butyl-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 14373787
2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one
CID 101490863
propan-2-yl 3-hydroxy-2-oxo-5,6-dihydro-4H-1-benzofuran-7-carboxylate
CID 101085402
2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
CID 67640352
1-tert-butyl-4-methylcyclohepta-1,3-diene
CID 90801662
3-tert-butylcyclohept-2-en-1-one
CID 67890868

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide?
The IUPAC name of 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide (CID 176866308) is 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide.
What is the SMILES notation for 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide?
The canonical SMILES for 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide is CC(C)(C)C1=C(C(C)(C)C)S(=O)C2=C1CCC2.
What is the InChIKey of 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide?
The InChIKey is IDWREOZWPDUWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-14(2,3)12-10-8-7-9-11(10)17(16)13(12)15(4,5)6/h7-9H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide?
2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide has a molecular weight of 252.42 g/mol, XLogP of 4.53, 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-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide is sourced from PubChem (CID 176866308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).