[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene

C15H23O5PS — CID 139060396

IUPAC[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene
SMILESCC(C)OP(=O)(CS(=O)(=O)/C=C/c1ccccc1)OC(C)C
InChIInChI=1S/C15H23O5PS/c1-13(2)19-21(16,20-14(3)4)12-22(17,18)11-10-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3/b11-10+
InChIKeyZUZUYKXJSYHNKN-ZHACJKMWSA-N
MW346.38 g/mol
LogP4.07
Rot. Bonds8

About [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene

[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene (PubChem CID 139060396) has the molecular formula C15H23O5PS and a molecular weight of 346.38 g/mol. Its IUPAC name is [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene
PubChem CID139060396
Molecular FormulaC15H23O5PS
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene
SMILESCC(C)OP(=O)(CS(=O)(=O)/C=C/c1ccccc1)OC(C)C
InChIInChI=1S/C15H23O5PS/c1-13(2)19-21(16,20-14(3)4)12-22(17,18)11-10-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3/b11-10+
InChIKeyZUZUYKXJSYHNKN-ZHACJKMWSA-N
XLogP4.07
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-bis[di(propan-2-yloxy)phosphoryl]buta-1,3-dienylbenzene
CID 54046503
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
1-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-4-methylbenzene
CID 164997410
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
2-(2-phenylethenylsulfonyl)propanoic acid
CID 173278160
1,4-bis(2-ethylsulfonylethenyl)benzene
CID 57028343
1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol
CID 101385731
1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene
CID 87506474
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene?
The IUPAC name of [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene (CID 139060396) is [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene.
What is the SMILES notation for [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene?
The canonical SMILES for [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene is CC(C)OP(=O)(CS(=O)(=O)/C=C/c1ccccc1)OC(C)C.
What is the InChIKey of [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene?
The InChIKey is ZUZUYKXJSYHNKN-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H23O5PS/c1-13(2)19-21(16,20-14(3)4)12-22(17,18)11-10-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3/b11-10+.
What are the key properties of [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene?
[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene has a molecular weight of 346.38 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 139060396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).