2,5-dimethyl-3-(propoxymethyl)thiophene

C10H16OS — CID 174163703

IUPAC2,5-dimethyl-3-(propoxymethyl)thiophene
SMILESCCCOCc1cc(C)sc1C
InChIInChI=1S/C10H16OS/c1-4-5-11-7-10-6-8(2)12-9(10)3/h6H,4-5,7H2,1-3H3
InChIKeyRXLHNTDNLVATQX-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.29
Rot. Bonds4

About 2,5-dimethyl-3-(propoxymethyl)thiophene

2,5-dimethyl-3-(propoxymethyl)thiophene (PubChem CID 174163703) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2,5-dimethyl-3-(propoxymethyl)thiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-(propoxymethyl)thiophene
PubChem CID174163703
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2,5-dimethyl-3-(propoxymethyl)thiophene
SMILESCCCOCc1cc(C)sc1C
InChIInChI=1S/C10H16OS/c1-4-5-11-7-10-6-8(2)12-9(10)3/h6H,4-5,7H2,1-3H3
InChIKeyRXLHNTDNLVATQX-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dimethyl-3-(propoxymethyl)thiophene?
The IUPAC name of 2,5-dimethyl-3-(propoxymethyl)thiophene (CID 174163703) is 2,5-dimethyl-3-(propoxymethyl)thiophene.
What is the SMILES notation for 2,5-dimethyl-3-(propoxymethyl)thiophene?
The canonical SMILES for 2,5-dimethyl-3-(propoxymethyl)thiophene is CCCOCc1cc(C)sc1C.
What is the InChIKey of 2,5-dimethyl-3-(propoxymethyl)thiophene?
The InChIKey is RXLHNTDNLVATQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-5-11-7-10-6-8(2)12-9(10)3/h6H,4-5,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-(propoxymethyl)thiophene?
2,5-dimethyl-3-(propoxymethyl)thiophene has a molecular weight of 184.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(propoxymethyl)thiophene is sourced from PubChem (CID 174163703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).