2-ethyl-5-(propoxymethyl)thiophene

C10H16OS — CID 54508933

IUPAC2-ethyl-5-(propoxymethyl)thiophene
SMILESCCCOCc1ccc(CC)s1
InChIInChI=1S/C10H16OS/c1-3-7-11-8-10-6-5-9(4-2)12-10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyYHSIIFINNIVASB-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.24
Rot. Bonds5

About 2-ethyl-5-(propoxymethyl)thiophene

2-ethyl-5-(propoxymethyl)thiophene (PubChem CID 54508933) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-ethyl-5-(propoxymethyl)thiophene.

Molecular Properties

Compound Name2-ethyl-5-(propoxymethyl)thiophene
PubChem CID54508933
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-ethyl-5-(propoxymethyl)thiophene
SMILESCCCOCc1ccc(CC)s1
InChIInChI=1S/C10H16OS/c1-3-7-11-8-10-6-5-9(4-2)12-10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyYHSIIFINNIVASB-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.24
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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Related Compounds

N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
2,5-diethylthiophene
CID 521294
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315
1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
CID 105087659
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
[1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105296397
4-[(5-ethylthiophen-2-yl)methoxymethyl]piperidine
CID 62340071
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
5-(propoxymethyl)-1,3-thiazole
CID 178117265

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(propoxymethyl)thiophene?
The IUPAC name of 2-ethyl-5-(propoxymethyl)thiophene (CID 54508933) is 2-ethyl-5-(propoxymethyl)thiophene.
What is the SMILES notation for 2-ethyl-5-(propoxymethyl)thiophene?
The canonical SMILES for 2-ethyl-5-(propoxymethyl)thiophene is CCCOCc1ccc(CC)s1.
What is the InChIKey of 2-ethyl-5-(propoxymethyl)thiophene?
The InChIKey is YHSIIFINNIVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-7-11-8-10-6-5-9(4-2)12-10/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2-ethyl-5-(propoxymethyl)thiophene?
2-ethyl-5-(propoxymethyl)thiophene has a molecular weight of 184.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(propoxymethyl)thiophene is sourced from PubChem (CID 54508933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).