prop-1-en-2-olate;2-propoxythiophene

C10H15O2S- — CID 22763205

IUPACprop-1-en-2-olate;2-propoxythiophene
SMILESC=C(C)[O-].CCCOc1cccs1
InChIInChI=1S/C7H10OS.C3H6O/c1-2-5-8-7-4-3-6-9-7;1-3(2)4/h3-4,6H,2,5H2,1H3;4H,1H2,2H3/p-1
InChIKeyRHFMVFAPNONDML-UHFFFAOYSA-M
MW199.29 g/mol
LogP2.42
Rot. Bonds3

About prop-1-en-2-olate;2-propoxythiophene

prop-1-en-2-olate;2-propoxythiophene (PubChem CID 22763205) has the molecular formula C10H15O2S- and a molecular weight of 199.29 g/mol. Its IUPAC name is prop-1-en-2-olate;2-propoxythiophene.

Molecular Properties

Compound Nameprop-1-en-2-olate;2-propoxythiophene
PubChem CID22763205
Molecular FormulaC10H15O2S-
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Nameprop-1-en-2-olate;2-propoxythiophene
SMILESC=C(C)[O-].CCCOc1cccs1
InChIInChI=1S/C7H10OS.C3H6O/c1-2-5-8-7-4-3-6-9-7;1-3(2)4/h3-4,6H,2,5H2,1H3;4H,1H2,2H3/p-1
InChIKeyRHFMVFAPNONDML-UHFFFAOYSA-M
XLogP2.42
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 prop-1-en-2-olate;2-propoxythiophene?
The IUPAC name of prop-1-en-2-olate;2-propoxythiophene (CID 22763205) is prop-1-en-2-olate;2-propoxythiophene.
What is the SMILES notation for prop-1-en-2-olate;2-propoxythiophene?
The canonical SMILES for prop-1-en-2-olate;2-propoxythiophene is C=C(C)[O-].CCCOc1cccs1.
What is the InChIKey of prop-1-en-2-olate;2-propoxythiophene?
The InChIKey is RHFMVFAPNONDML-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10OS.C3H6O/c1-2-5-8-7-4-3-6-9-7;1-3(2)4/h3-4,6H,2,5H2,1H3;4H,1H2,2H3/p-1.
What are the key properties of prop-1-en-2-olate;2-propoxythiophene?
prop-1-en-2-olate;2-propoxythiophene has a molecular weight of 199.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-olate;2-propoxythiophene is sourced from PubChem (CID 22763205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).