2-[(Z)-2-diethoxyphosphorylethenyl]thiophene

C10H15O3PS — CID 122219694

IUPAC2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
SMILESCCOP(=O)(/C=C\c1cccs1)OCC
InChIInChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)8-7-10-6-5-9-15-10/h5-9H,3-4H2,1-2H3/b8-7-
InChIKeyLQPOQNZLIWOQQR-FPLPWBNLSA-N
MW246.27 g/mol
LogP3.98
Rot. Bonds6

About 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene

2-[(Z)-2-diethoxyphosphorylethenyl]thiophene (PubChem CID 122219694) has the molecular formula C10H15O3PS and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
PubChem CID122219694
Molecular FormulaC10H15O3PS
Molecular Weight246.27 g/mol
Exact Mass246.05
IUPAC Name2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
SMILESCCOP(=O)(/C=C\c1cccs1)OCC
InChIInChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)8-7-10-6-5-9-15-10/h5-9H,3-4H2,1-2H3/b8-7-
InChIKeyLQPOQNZLIWOQQR-FPLPWBNLSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene?
The IUPAC name of 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene (CID 122219694) is 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene.
What is the SMILES notation for 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene?
The canonical SMILES for 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene is CCOP(=O)(/C=C\c1cccs1)OCC.
What is the InChIKey of 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene?
The InChIKey is LQPOQNZLIWOQQR-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)8-7-10-6-5-9-15-10/h5-9H,3-4H2,1-2H3/b8-7-.
What are the key properties of 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene?
2-[(Z)-2-diethoxyphosphorylethenyl]thiophene has a molecular weight of 246.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-diethoxyphosphorylethenyl]thiophene is sourced from PubChem (CID 122219694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).