[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate

C16H27O5PSi2 — CID 67350760

IUPAC[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/C=C/P(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H27O5PSi2/c1-14(17)19-16-11-9-8-10-15(16)12-13-22(18,20-23(2,3)4)21-24(5,6)7/h8-13H,1-7H3/b13-12+
InChIKeyBTRCKERWSKCZBY-OUKQBFOZSA-N
MW386.53 g/mol
LogP5.48
Rot. Bonds7

About [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate

[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate (PubChem CID 67350760) has the molecular formula C16H27O5PSi2 and a molecular weight of 386.53 g/mol. Its IUPAC name is [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate
PubChem CID67350760
Molecular FormulaC16H27O5PSi2
Molecular Weight386.53 g/mol
Exact Mass386.11
IUPAC Name[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/C=C/P(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H27O5PSi2/c1-14(17)19-16-11-9-8-10-15(16)12-13-22(18,20-23(2,3)4)21-24(5,6)7/h8-13H,1-7H3/b13-12+
InChIKeyBTRCKERWSKCZBY-OUKQBFOZSA-N
XLogP5.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-diethoxyphosphorylethenyl)phenyl] acetate
CID 72578000
[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
CID 6069153
benzene;(2-ethenylphenyl) acetate
CID 175577038
(2-trimethylsilylphenyl) acetate
CID 13101762
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;[2-(3-oxo-3-phenylprop-1-enyl)phenyl] acetate
CID 175221703
[2-[(Z)-2-(4-oxo-1,3-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 92955813
[2-(tert-butyliminomethyl)phenyl] acetate
CID 15905761
[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234408
CID 89138557
CID 89138557
[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
CID 71385450
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate?
The IUPAC name of [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate (CID 67350760) is [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate.
What is the SMILES notation for [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate?
The canonical SMILES for [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate is CC(=O)Oc1ccccc1/C=C/P(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate?
The InChIKey is BTRCKERWSKCZBY-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H27O5PSi2/c1-14(17)19-16-11-9-8-10-15(16)12-13-22(18,20-23(2,3)4)21-24(5,6)7/h8-13H,1-7H3/b13-12+.
What are the key properties of [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate?
[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate has a molecular weight of 386.53 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate is sourced from PubChem (CID 67350760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).