[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene

C19H18OSe2 — CID 10342066

IUPAC[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene
SMILESCC#CCOC/C(=C\[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C19H18OSe2/c1-2-3-14-20-15-19(22-18-12-8-5-9-13-18)16-21-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1H3/b19-16+
InChIKeyUJPWQSWPRXQNBO-KNTRCKAVSA-N
MW420.27 g/mol
LogP1.93
Rot. Bonds7

About [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene

[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene (PubChem CID 10342066) has the molecular formula C19H18OSe2 and a molecular weight of 420.27 g/mol. Its IUPAC name is [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene.

Molecular Properties

Compound Name[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene
PubChem CID10342066
Molecular FormulaC19H18OSe2
Molecular Weight420.27 g/mol
Exact Mass421.97
IUPAC Name[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene
SMILESCC#CCOC/C(=C\[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C19H18OSe2/c1-2-3-14-20-15-19(22-18-12-8-5-9-13-18)16-21-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1H3/b19-16+
InChIKeyUJPWQSWPRXQNBO-KNTRCKAVSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-ynoxybuta-2,3-dien-2-ylsulfonylbenzene
CID 16724428
2-phenylselanylethene-1,1-diol
CID 11790922
[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene
CID 102472359
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
CID 10649526
2-but-2-ynoxy-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 167321279
2,3-bis(but-2-ynoxy)naphthalene
CID 155470576
trimethyl-[(E)-1-phenyl-2-phenylselanylethenoxy]silane
CID 11759796
4-but-2-ynoxy-6-phenylpyrimidine
CID 22599792
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
[(1S)-1-azido-2-but-2-ynoxyethyl]benzene
CID 42611443
[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
CID 102573736
but-2-ynyl benzenesulfonate
CID 18915655

Frequently Asked Questions

What is the IUPAC name of [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene?
The IUPAC name of [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene (CID 10342066) is [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene.
What is the SMILES notation for [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene?
The canonical SMILES for [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene is CC#CCOC/C(=C\[Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene?
The InChIKey is UJPWQSWPRXQNBO-KNTRCKAVSA-N. The full InChI is InChI=1S/C19H18OSe2/c1-2-3-14-20-15-19(22-18-12-8-5-9-13-18)16-21-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1H3/b19-16+.
What are the key properties of [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene?
[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene has a molecular weight of 420.27 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene is sourced from PubChem (CID 10342066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).