2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene

C13H16S — CID 139240478

IUPAC2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
SMILESCCC(C)(C1=CCC=C1)c1cccs1
InChIInChI=1S/C13H16S/c1-3-13(2,11-7-4-5-8-11)12-9-6-10-14-12/h4,6-10H,3,5H2,1-2H3
InChIKeyRCJPUKXHSFNPKR-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene

2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene (PubChem CID 139240478) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
PubChem CID139240478
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
SMILESCCC(C)(C1=CCC=C1)c1cccs1
InChIInChI=1S/C13H16S/c1-3-13(2,11-7-4-5-8-11)12-9-6-10-14-12/h4,6-10H,3,5H2,1-2H3
InChIKeyRCJPUKXHSFNPKR-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(1,1-dichloroethyl)thiophene
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2,5-bis(1-phenyl-2-thiophen-2-ylpropan-2-yl)thiophene
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2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-(1-chloro-2-methylpropan-2-yl)thiophene
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2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene (CID 139240478) is 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene is CCC(C)(C1=CCC=C1)c1cccs1.
What is the InChIKey of 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene?
The InChIKey is RCJPUKXHSFNPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-3-13(2,11-7-4-5-8-11)12-9-6-10-14-12/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene?
2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene has a molecular weight of 204.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene is sourced from PubChem (CID 139240478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).