2-[(E)-2-dibutoxyphosphorylethenyl]thiophene

C14H23O3PS — CID 5383939

IUPAC2-[(E)-2-dibutoxyphosphorylethenyl]thiophene
SMILESCCCCOP(=O)(/C=C/c1cccs1)OCCCC
InChIInChI=1S/C14H23O3PS/c1-3-5-10-16-18(15,17-11-6-4-2)12-9-14-8-7-13-19-14/h7-9,12-13H,3-6,10-11H2,1-2H3/b12-9+
InChIKeyXKEOVAFJRWAELH-FMIVXFBMSA-N
MW302.38 g/mol
LogP5.55
Rot. Bonds10

About 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene

2-[(E)-2-dibutoxyphosphorylethenyl]thiophene (PubChem CID 5383939) has the molecular formula C14H23O3PS and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-dibutoxyphosphorylethenyl]thiophene
PubChem CID5383939
Molecular FormulaC14H23O3PS
Molecular Weight302.38 g/mol
Exact Mass302.11
IUPAC Name2-[(E)-2-dibutoxyphosphorylethenyl]thiophene
SMILESCCCCOP(=O)(/C=C/c1cccs1)OCCCC
InChIInChI=1S/C14H23O3PS/c1-3-5-10-16-18(15,17-11-6-4-2)12-9-14-8-7-13-19-14/h7-9,12-13H,3-6,10-11H2,1-2H3/b12-9+
InChIKeyXKEOVAFJRWAELH-FMIVXFBMSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(thiophen-2-ylmethylidene)octan-2-one
CID 25062085
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
(E)-5-diethoxyphosphoryl-1,5-dithiophen-2-ylpent-1-en-3-one
CID 132500067
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
butyl 2-cyano-3-thiophen-2-ylprop-2-enoate
CID 76862668
2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 59141205
2-(4-butoxyphenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 3956809
benzene;tributyl phosphate
CID 69440959
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
2-octoxythiophene
CID 66725658
2-hexoxythiophene
CID 14473225

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene (CID 5383939) is 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene is CCCCOP(=O)(/C=C/c1cccs1)OCCCC.
What is the InChIKey of 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene?
The InChIKey is XKEOVAFJRWAELH-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H23O3PS/c1-3-5-10-16-18(15,17-11-6-4-2)12-9-14-8-7-13-19-14/h7-9,12-13H,3-6,10-11H2,1-2H3/b12-9+.
What are the key properties of 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene?
2-[(E)-2-dibutoxyphosphorylethenyl]thiophene has a molecular weight of 302.38 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-dibutoxyphosphorylethenyl]thiophene is sourced from PubChem (CID 5383939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).