2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene

C10H10O2S — CID 11063302

IUPAC2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene
SMILESCO/C=C\C#Cc1ccc(OC)s1
InChIInChI=1S/C10H10O2S/c1-11-8-4-3-5-9-6-7-10(12-2)13-9/h4,6-8H,1-2H3/b8-4-
InChIKeyKDGYWHUVGGZARQ-YWEYNIOJSA-N
MW194.25 g/mol
LogP2.27
Rot. Bonds2

About 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene

2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene (PubChem CID 11063302) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene
PubChem CID11063302
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene
SMILESCO/C=C\C#Cc1ccc(OC)s1
InChIInChI=1S/C10H10O2S/c1-11-8-4-3-5-9-6-7-10(12-2)13-9/h4,6-8H,1-2H3/b8-4-
InChIKeyKDGYWHUVGGZARQ-YWEYNIOJSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene?
The IUPAC name of 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene (CID 11063302) is 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene.
What is the SMILES notation for 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene?
The canonical SMILES for 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene is CO/C=C\C#Cc1ccc(OC)s1.
What is the InChIKey of 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene?
The InChIKey is KDGYWHUVGGZARQ-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H10O2S/c1-11-8-4-3-5-9-6-7-10(12-2)13-9/h4,6-8H,1-2H3/b8-4-.
What are the key properties of 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene?
2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene has a molecular weight of 194.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-4-methoxybut-3-en-1-ynyl]thiophene is sourced from PubChem (CID 11063302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).