5,5-dimethyl-4-propyl-2H-thiophene

C9H16S — CID 54280879

IUPAC5,5-dimethyl-4-propyl-2H-thiophene
SMILESCCCC1=CCSC1(C)C
InChIInChI=1S/C9H16S/c1-4-5-8-6-7-10-9(8,2)3/h6H,4-5,7H2,1-3H3
InChIKeyHZFRVDDWCLTTQV-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.24
Rot. Bonds2

About 5,5-dimethyl-4-propyl-2H-thiophene

5,5-dimethyl-4-propyl-2H-thiophene (PubChem CID 54280879) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 5,5-dimethyl-4-propyl-2H-thiophene.

Molecular Properties

Compound Name5,5-dimethyl-4-propyl-2H-thiophene
PubChem CID54280879
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name5,5-dimethyl-4-propyl-2H-thiophene
SMILESCCCC1=CCSC1(C)C
InChIInChI=1S/C9H16S/c1-4-5-8-6-7-10-9(8,2)3/h6H,4-5,7H2,1-3H3
InChIKeyHZFRVDDWCLTTQV-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-propyl-2H-thiophene?
The IUPAC name of 5,5-dimethyl-4-propyl-2H-thiophene (CID 54280879) is 5,5-dimethyl-4-propyl-2H-thiophene.
What is the SMILES notation for 5,5-dimethyl-4-propyl-2H-thiophene?
The canonical SMILES for 5,5-dimethyl-4-propyl-2H-thiophene is CCCC1=CCSC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-propyl-2H-thiophene?
The InChIKey is HZFRVDDWCLTTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-4-5-8-6-7-10-9(8,2)3/h6H,4-5,7H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-propyl-2H-thiophene?
5,5-dimethyl-4-propyl-2H-thiophene has a molecular weight of 156.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-propyl-2H-thiophene is sourced from PubChem (CID 54280879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).