2-(1-ethoxybutan-2-yl)thiophene

C10H16OS — CID 91415896

IUPAC2-(1-ethoxybutan-2-yl)thiophene
SMILESCCOCC(CC)c1cccs1
InChIInChI=1S/C10H16OS/c1-3-9(8-11-4-2)10-6-5-7-12-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZOWPAPSFHGEGLB-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.28
Rot. Bonds5

About 2-(1-ethoxybutan-2-yl)thiophene

2-(1-ethoxybutan-2-yl)thiophene (PubChem CID 91415896) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-(1-ethoxybutan-2-yl)thiophene.

Molecular Properties

Compound Name2-(1-ethoxybutan-2-yl)thiophene
PubChem CID91415896
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-(1-ethoxybutan-2-yl)thiophene
SMILESCCOCC(CC)c1cccs1
InChIInChI=1S/C10H16OS/c1-3-9(8-11-4-2)10-6-5-7-12-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZOWPAPSFHGEGLB-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(1R)-1-iodopropyl]thiophene
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2-heptadecan-5-ylthiophene
CID 19734009
2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene
CID 129169436
2-propan-2-ylthiophene
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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutan-2-yl)thiophene?
The IUPAC name of 2-(1-ethoxybutan-2-yl)thiophene (CID 91415896) is 2-(1-ethoxybutan-2-yl)thiophene.
What is the SMILES notation for 2-(1-ethoxybutan-2-yl)thiophene?
The canonical SMILES for 2-(1-ethoxybutan-2-yl)thiophene is CCOCC(CC)c1cccs1.
What is the InChIKey of 2-(1-ethoxybutan-2-yl)thiophene?
The InChIKey is ZOWPAPSFHGEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-9(8-11-4-2)10-6-5-7-12-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-(1-ethoxybutan-2-yl)thiophene?
2-(1-ethoxybutan-2-yl)thiophene has a molecular weight of 184.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutan-2-yl)thiophene is sourced from PubChem (CID 91415896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).