2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid

C9H21O5PSi — CID 87992420

IUPAC2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid
SMILESCCC(CC)(C(=O)O)P(=O)(O)O[Si](C)(C)C
InChIInChI=1S/C9H21O5PSi/c1-6-9(7-2,8(10)11)15(12,13)14-16(3,4)5/h6-7H2,1-5H3,(H,10,11)(H,12,13)
InChIKeyZRXQYCKLWYITSH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds6

About 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid

2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid (PubChem CID 87992420) has the molecular formula C9H21O5PSi and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid
PubChem CID87992420
Molecular FormulaC9H21O5PSi
Molecular Weight268.32 g/mol
Exact Mass268.09
IUPAC Name2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid
SMILESCCC(CC)(C(=O)O)P(=O)(O)O[Si](C)(C)C
InChIInChI=1S/C9H21O5PSi/c1-6-9(7-2,8(10)11)15(12,13)14-16(3,4)5/h6-7H2,1-5H3,(H,10,11)(H,12,13)
InChIKeyZRXQYCKLWYITSH-UHFFFAOYSA-N
XLogP2.67
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[hydroxy(prop-2-enoxy)phosphoryl]butanoic acid
CID 87623083
ethoxyethane;2-ethyl-2-phosphonobutanoic acid
CID 86749295
2-ethyl-2-phosphonohexanoic acid
CID 88688583
3-carbonochloridoylpentan-3-ylphosphonic acid
CID 22349208
2-ethyl-2-phosphonododecanoic acid
CID 88504451
2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
CID 175746483
ethyl trimethylsilyl hydrogen phosphate
CID 19079822
2-(3-carboxypentan-3-ylperoxy)-2-ethylbutanoic acid
CID 141153642
2-hydroxy-2-phosphonobutanoic acid
CID 22117039
2,2-diphosphonobutane-1,1,1-tricarboxylic acid
CID 54125067
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
lithium bis(trimethylsilyl) phosphate
CID 164761966

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid?
The IUPAC name of 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid (CID 87992420) is 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid is CCC(CC)(C(=O)O)P(=O)(O)O[Si](C)(C)C.
What is the InChIKey of 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid?
The InChIKey is ZRXQYCKLWYITSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O5PSi/c1-6-9(7-2,8(10)11)15(12,13)14-16(3,4)5/h6-7H2,1-5H3,(H,10,11)(H,12,13).
What are the key properties of 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid?
2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid has a molecular weight of 268.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid is sourced from PubChem (CID 87992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).