2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde

C12H17O2PSi — CID 91140202

IUPAC2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde
SMILESC[Si](C)(c1ccccc1)P(CC=O)CC=O
InChIInChI=1S/C12H17O2PSi/c1-16(2,12-6-4-3-5-7-12)15(10-8-13)11-9-14/h3-9H,10-11H2,1-2H3
InChIKeyWAKSRIUSSKHTHP-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.98
Rot. Bonds6

About 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde

2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde (PubChem CID 91140202) has the molecular formula C12H17O2PSi and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde.

Molecular Properties

Compound Name2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde
PubChem CID91140202
Molecular FormulaC12H17O2PSi
Molecular Weight252.33 g/mol
Exact Mass252.07
IUPAC Name2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde
SMILESC[Si](C)(c1ccccc1)P(CC=O)CC=O
InChIInChI=1S/C12H17O2PSi/c1-16(2,12-6-4-3-5-7-12)15(10-8-13)11-9-14/h3-9H,10-11H2,1-2H3
InChIKeyWAKSRIUSSKHTHP-UHFFFAOYSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde?
The IUPAC name of 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde (CID 91140202) is 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde.
What is the SMILES notation for 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde?
The canonical SMILES for 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde is C[Si](C)(c1ccccc1)P(CC=O)CC=O.
What is the InChIKey of 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde?
The InChIKey is WAKSRIUSSKHTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2PSi/c1-16(2,12-6-4-3-5-7-12)15(10-8-13)11-9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde?
2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde has a molecular weight of 252.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde is sourced from PubChem (CID 91140202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).