4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene

C10H14OS — CID 135172075

IUPAC4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene
SMILESC=C(CC1=CCSC1=C)OCC
InChIInChI=1S/C10H14OS/c1-4-11-8(2)7-10-5-6-12-9(10)3/h5H,2-4,6-7H2,1H3
InChIKeyKPSQFBBYSPSUTH-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.11
Rot. Bonds4

About 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene

4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene (PubChem CID 135172075) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene.

Molecular Properties

Compound Name4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene
PubChem CID135172075
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene
SMILESC=C(CC1=CCSC1=C)OCC
InChIInChI=1S/C10H14OS/c1-4-11-8(2)7-10-5-6-12-9(10)3/h5H,2-4,6-7H2,1H3
InChIKeyKPSQFBBYSPSUTH-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene?
The IUPAC name of 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene (CID 135172075) is 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene.
What is the SMILES notation for 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene?
The canonical SMILES for 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene is C=C(CC1=CCSC1=C)OCC.
What is the InChIKey of 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene?
The InChIKey is KPSQFBBYSPSUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-4-11-8(2)7-10-5-6-12-9(10)3/h5H,2-4,6-7H2,1H3.
What are the key properties of 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene?
4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene has a molecular weight of 182.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyprop-2-enyl)-5-methylidene-2H-thiophene is sourced from PubChem (CID 135172075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).