2-pent-3-enoxythiophene

C9H12OS — CID 175415883

IUPAC2-pent-3-enoxythiophene
SMILESCC=CCCOc1cccs1
InChIInChI=1S/C9H12OS/c1-2-3-4-7-10-9-6-5-8-11-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyNINIYLWDYSDFQU-UHFFFAOYSA-N
MW168.26 g/mol
LogP3.09
Rot. Bonds4

About 2-pent-3-enoxythiophene

2-pent-3-enoxythiophene (PubChem CID 175415883) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-pent-3-enoxythiophene.

Molecular Properties

Compound Name2-pent-3-enoxythiophene
PubChem CID175415883
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-pent-3-enoxythiophene
SMILESCC=CCCOc1cccs1
InChIInChI=1S/C9H12OS/c1-2-3-4-7-10-9-6-5-8-11-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyNINIYLWDYSDFQU-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pent-3-enoxythiophene?
The IUPAC name of 2-pent-3-enoxythiophene (CID 175415883) is 2-pent-3-enoxythiophene.
What is the SMILES notation for 2-pent-3-enoxythiophene?
The canonical SMILES for 2-pent-3-enoxythiophene is CC=CCCOc1cccs1.
What is the InChIKey of 2-pent-3-enoxythiophene?
The InChIKey is NINIYLWDYSDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-3-4-7-10-9-6-5-8-11-9/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 2-pent-3-enoxythiophene?
2-pent-3-enoxythiophene has a molecular weight of 168.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-enoxythiophene is sourced from PubChem (CID 175415883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).