2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene

C14H20S — CID 57152116

IUPAC2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
SMILESCC(C)=C1C2C=CC=C2SC1C(C)(C)C
InChIInChI=1S/C14H20S/c1-9(2)12-10-7-6-8-11(10)15-13(12)14(3,4)5/h6-8,10,13H,1-5H3
InChIKeyAUNLRKHPSTUOBI-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.55
Rot. Bonds

About 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene

2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene (PubChem CID 57152116) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
PubChem CID57152116
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
SMILESCC(C)=C1C2C=CC=C2SC1C(C)(C)C
InChIInChI=1S/C14H20S/c1-9(2)12-10-7-6-8-11(10)15-13(12)14(3,4)5/h6-8,10,13H,1-5H3
InChIKeyAUNLRKHPSTUOBI-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran
CID 134945345
2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
CID 145336
(1S,2S,6R)-3-propan-2-ylidene-7-thiatricyclo[6.5.0.02,6]trideca-4,8,10,12-tetraene
CID 14926675
2-butyl-2H-cyclopenta[b]thiophene
CID 21095250
2-pentyl-2H-cyclopenta[b]thiophene
CID 21095264
2,3-diethyl-2H-cyclopenta[b]thiophene
CID 21095343
1,3-diethyl-1H-cyclopenta[c]thiophene
CID 21095347
1,3-dipropyl-1H-cyclopenta[c]thiophene
CID 21095417
2-butan-2-yl-2H-cyclopenta[b]thiophene
CID 21095606
3-butan-2-yl-3H-cyclopenta[c]thiophene
CID 21095610
2,3,4-triethyl-2H-cyclopenta[b]thiophene
CID 21095832
3-methylsulfanyl-1-propan-2-ylidene-3aH-pentalene
CID 54262003

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The IUPAC name of 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene (CID 57152116) is 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene is CC(C)=C1C2C=CC=C2SC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The InChIKey is AUNLRKHPSTUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-9(2)12-10-7-6-8-11(10)15-13(12)14(3,4)5/h6-8,10,13H,1-5H3.
What are the key properties of 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene has a molecular weight of 220.38 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 57152116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).