2-pentyl-2H-cyclopenta[b]thiophene

C12H16S — CID 21095264

IUPAC2-pentyl-2H-cyclopenta[b]thiophene
SMILESCCCCCC1C=C2C=CC=C2S1
InChIInChI=1S/C12H16S/c1-2-3-4-7-11-9-10-6-5-8-12(10)13-11/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyRGVMKMCRWKWBTB-UHFFFAOYSA-N
MW192.33 g/mol
LogP4.06
Rot. Bonds4

About 2-pentyl-2H-cyclopenta[b]thiophene

2-pentyl-2H-cyclopenta[b]thiophene (PubChem CID 21095264) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-pentyl-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-pentyl-2H-cyclopenta[b]thiophene
PubChem CID21095264
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-pentyl-2H-cyclopenta[b]thiophene
SMILESCCCCCC1C=C2C=CC=C2S1
InChIInChI=1S/C12H16S/c1-2-3-4-7-11-9-10-6-5-8-12(10)13-11/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyRGVMKMCRWKWBTB-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-2H-cyclopenta[b]thiophene?
The IUPAC name of 2-pentyl-2H-cyclopenta[b]thiophene (CID 21095264) is 2-pentyl-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-pentyl-2H-cyclopenta[b]thiophene?
The canonical SMILES for 2-pentyl-2H-cyclopenta[b]thiophene is CCCCCC1C=C2C=CC=C2S1.
What is the InChIKey of 2-pentyl-2H-cyclopenta[b]thiophene?
The InChIKey is RGVMKMCRWKWBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-2-3-4-7-11-9-10-6-5-8-12(10)13-11/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of 2-pentyl-2H-cyclopenta[b]thiophene?
2-pentyl-2H-cyclopenta[b]thiophene has a molecular weight of 192.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 21095264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).