3-(1-butoxyethyl)thiophene

C10H16OS — CID 70437700

IUPAC3-(1-butoxyethyl)thiophene
SMILESCCCCOC(C)c1ccsc1
InChIInChI=1S/C10H16OS/c1-3-4-6-11-9(2)10-5-7-12-8-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyGGISSRAGINQCGP-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.63
Rot. Bonds5

About 3-(1-butoxyethyl)thiophene

3-(1-butoxyethyl)thiophene (PubChem CID 70437700) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-(1-butoxyethyl)thiophene.

Molecular Properties

Compound Name3-(1-butoxyethyl)thiophene
PubChem CID70437700
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-(1-butoxyethyl)thiophene
SMILESCCCCOC(C)c1ccsc1
InChIInChI=1S/C10H16OS/c1-3-4-6-11-9(2)10-5-7-12-8-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyGGISSRAGINQCGP-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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

2-Thiophen-3-yl-2,3-dihydropyran-6-one
CID 56658041
(alphaS)-alpha-Methyl-3-thiophenemethanol
CID 11297979
2-Methoxy-2-(thiophen-3-yl)acetonitrile
CID 66070495
Tert-butyl-dimethyl-(1-thiophen-3-ylethoxy)silane
CID 10014927
(1R)-1-(thiophen-3-yl)ethan-1-ol
CID 11528346
2-[(2-Methylpropan-2-yl)oxymethyl]thiophene
CID 11788536
1-(Thiophen-3-yl)ethanol
CID 12744375
2-Methyl-2-(thiophen-3-yl)-1,3-dioxolane
CID 13710960
1-(Thiophen-3-yl)prop-2-en-1-ol
CID 19780492
2,5,5-Trimethyl-2-(thiophen-3-yl)-1,3-dioxane
CID 22902024
7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran
CID 122375850
(1R)-1-thiophen-3-ylprop-2-en-1-ol
CID 124509514

Frequently Asked Questions

What is the IUPAC name of 3-(1-butoxyethyl)thiophene?
The IUPAC name of 3-(1-butoxyethyl)thiophene (CID 70437700) is 3-(1-butoxyethyl)thiophene.
What is the SMILES notation for 3-(1-butoxyethyl)thiophene?
The canonical SMILES for 3-(1-butoxyethyl)thiophene is CCCCOC(C)c1ccsc1.
What is the InChIKey of 3-(1-butoxyethyl)thiophene?
The InChIKey is GGISSRAGINQCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-4-6-11-9(2)10-5-7-12-8-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 3-(1-butoxyethyl)thiophene?
3-(1-butoxyethyl)thiophene has a molecular weight of 184.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butoxyethyl)thiophene is sourced from PubChem (CID 70437700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).