(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid

C10H23O5PSi — CID 173220807

IUPAC(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid
SMILESCCCCC(CC(=O)CP(=O)(O)O)O[SiH](C)C
InChIInChI=1S/C10H23O5PSi/c1-4-5-6-10(15-17(2)3)7-9(11)8-16(12,13)14/h10,17H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyXESHXWJDECQUDN-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.68
Rot. Bonds9

About (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid

(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid (PubChem CID 173220807) has the molecular formula C10H23O5PSi and a molecular weight of 282.35 g/mol. Its IUPAC name is (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid.

Molecular Properties

Compound Name(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid
PubChem CID173220807
Molecular FormulaC10H23O5PSi
Molecular Weight282.35 g/mol
Exact Mass282.11
IUPAC Name(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid
SMILESCCCCC(CC(=O)CP(=O)(O)O)O[SiH](C)C
InChIInChI=1S/C10H23O5PSi/c1-4-5-6-10(15-17(2)3)7-9(11)8-16(12,13)14/h10,17H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyXESHXWJDECQUDN-UHFFFAOYSA-N
XLogP1.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.68
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'}

Analyze (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid
CID 154503484
[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid
CID 88645077
(1-ethoxy-1-oxoheptan-3-yl)phosphonic acid
CID 57051398
azane;decan-5-yl dihydrogen phosphate
CID 88685768
(1-ethoxy-1-oxohexan-2-yl)phosphonic acid
CID 57168391
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
1-(trimethylazaniumyl)hexan-2-yl hydrogen phosphate
CID 172844309
aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid
CID 54321147
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
(7-methyl-2-oxooctyl)phosphonic acid
CID 87368556

Frequently Asked Questions

What is the IUPAC name of (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid?
The IUPAC name of (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid (CID 173220807) is (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid.
What is the SMILES notation for (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid?
The canonical SMILES for (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid is CCCCC(CC(=O)CP(=O)(O)O)O[SiH](C)C.
What is the InChIKey of (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid?
The InChIKey is XESHXWJDECQUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O5PSi/c1-4-5-6-10(15-17(2)3)7-9(11)8-16(12,13)14/h10,17H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid?
(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid has a molecular weight of 282.35 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dimethylsilyloxy-2-oxooctyl)phosphonic acid is sourced from PubChem (CID 173220807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).