[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene

C19H24OSSe — CID 15807298

IUPAC[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene
SMILESC[C@@H](C([Se]c1ccccc1)S(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H24OSSe/c1-15(19(2,3)4)18(22-17-13-9-6-10-14-17)21(20)16-11-7-5-8-12-16/h5-15,18H,1-4H3/t15-,18?,21?/m0/s1
InChIKeyUFYJLRHVCVBMGZ-SBGRQLAYSA-N
MW379.43 g/mol
LogP3.83
Rot. Bonds5

About [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene

[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene (PubChem CID 15807298) has the molecular formula C19H24OSSe and a molecular weight of 379.43 g/mol. Its IUPAC name is [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene.

Molecular Properties

Compound Name[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene
PubChem CID15807298
Molecular FormulaC19H24OSSe
Molecular Weight379.43 g/mol
Exact Mass380.07
IUPAC Name[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene
SMILESC[C@@H](C([Se]c1ccccc1)S(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H24OSSe/c1-15(19(2,3)4)18(22-17-13-9-6-10-14-17)21(20)16-11-7-5-8-12-16/h5-15,18H,1-4H3/t15-,18?,21?/m0/s1
InChIKeyUFYJLRHVCVBMGZ-SBGRQLAYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene?
The IUPAC name of [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene (CID 15807298) is [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene.
What is the SMILES notation for [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene?
The canonical SMILES for [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene is C[C@@H](C([Se]c1ccccc1)S(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene?
The InChIKey is UFYJLRHVCVBMGZ-SBGRQLAYSA-N. The full InChI is InChI=1S/C19H24OSSe/c1-15(19(2,3)4)18(22-17-13-9-6-10-14-17)21(20)16-11-7-5-8-12-16/h5-15,18H,1-4H3/t15-,18?,21?/m0/s1.
What are the key properties of [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene?
[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene has a molecular weight of 379.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene is sourced from PubChem (CID 15807298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).