1-hex-1-ynyl-2-(phenylselanylmethyl)benzene

C19H20Se — CID 102047618

IUPAC1-hex-1-ynyl-2-(phenylselanylmethyl)benzene
SMILESCCCCC#Cc1ccccc1C[Se]c1ccccc1
InChIInChI=1S/C19H20Se/c1-2-3-4-6-11-17-12-9-10-13-18(17)16-20-19-14-7-5-8-15-19/h5,7-10,12-15H,2-4,16H2,1H3
InChIKeyOYSSOXJDIFLJRW-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.76
Rot. Bonds5

About 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene

1-hex-1-ynyl-2-(phenylselanylmethyl)benzene (PubChem CID 102047618) has the molecular formula C19H20Se and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene.

Molecular Properties

Compound Name1-hex-1-ynyl-2-(phenylselanylmethyl)benzene
PubChem CID102047618
Molecular FormulaC19H20Se
Molecular Weight327.33 g/mol
Exact Mass328.07
IUPAC Name1-hex-1-ynyl-2-(phenylselanylmethyl)benzene
SMILESCCCCC#Cc1ccccc1C[Se]c1ccccc1
InChIInChI=1S/C19H20Se/c1-2-3-4-6-11-17-12-9-10-13-18(17)16-20-19-14-7-5-8-15-19/h5,7-10,12-15H,2-4,16H2,1H3
InChIKeyOYSSOXJDIFLJRW-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine
CID 11322492
1,2-bis(oct-1-ynyl)benzene
CID 11087701
(2-hex-1-ynylphenyl)-trimethylsilane
CID 139650960
1-hex-1-ynylnaphthalene
CID 11769709
3-(2-dodec-1-ynylphenyl)propanoic acid
CID 151187733
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353
4-(2-oct-1-ynylphenyl)but-1-yn-1-ol
CID 70446792
N-[(2-pent-1-ynylphenyl)methyl]aniline
CID 101378600
1-diethoxyphosphoryl-2-hex-1-ynylbenzene
CID 12988807
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-hex-1-ynylbenzoyl chloride
CID 10727684
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene?
The IUPAC name of 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene (CID 102047618) is 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene.
What is the SMILES notation for 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene?
The canonical SMILES for 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene is CCCCC#Cc1ccccc1C[Se]c1ccccc1.
What is the InChIKey of 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene?
The InChIKey is OYSSOXJDIFLJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Se/c1-2-3-4-6-11-17-12-9-10-13-18(17)16-20-19-14-7-5-8-15-19/h5,7-10,12-15H,2-4,16H2,1H3.
What are the key properties of 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene?
1-hex-1-ynyl-2-(phenylselanylmethyl)benzene has a molecular weight of 327.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynyl-2-(phenylselanylmethyl)benzene is sourced from PubChem (CID 102047618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).