2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid

C10H23O6PSi — CID 173255725

IUPAC2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid
SMILESCCCCC(O[SiH](C)C)(C(=O)O)P(=O)(OC)OC
InChIInChI=1S/C10H23O6PSi/c1-6-7-8-10(9(11)12,16-18(4)5)17(13,14-2)15-3/h18H,6-8H2,1-5H3,(H,11,12)
InChIKeyNMLUCHSGWPYBNN-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.44
Rot. Bonds9

About 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid

2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid (PubChem CID 173255725) has the molecular formula C10H23O6PSi and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid
PubChem CID173255725
Molecular FormulaC10H23O6PSi
Molecular Weight298.35 g/mol
Exact Mass298.10
IUPAC Name2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid
SMILESCCCCC(O[SiH](C)C)(C(=O)O)P(=O)(OC)OC
InChIInChI=1S/C10H23O6PSi/c1-6-7-8-10(9(11)12,16-18(4)5)17(13,14-2)15-3/h18H,6-8H2,1-5H3,(H,11,12)
InChIKeyNMLUCHSGWPYBNN-UHFFFAOYSA-N
XLogP2.44
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butyl-2-chlorohexanoic acid
CID 178066863
2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid
CID 154503484
pentane-1,1,1-tricarboxylic acid
CID 19386814
1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
CID 11118722
2-dimethoxyphosphoryl-2-methylpropanoic acid
CID 87489507
2-butyl-2-methylhexanoic acid
CID 15930803
2-chloro-2-(2,2,2-trichloroethyl)heptanoic acid
CID 19068500
2-ethyl-2-phosphonohexanoic acid
CID 88688583
decyl(methoxy)phosphinic acid
CID 54568982
2,2-dichloro-1-dimethoxyphosphorylhexadecan-1-one
CID 134918659
2,2-dichloro-1-dimethoxyphosphoryltetradecan-1-one
CID 134918983
2-ethyl-2-methylperoxyhexanoic acid
CID 175904279

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid?
The IUPAC name of 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid (CID 173255725) is 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid.
What is the SMILES notation for 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid?
The canonical SMILES for 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid is CCCCC(O[SiH](C)C)(C(=O)O)P(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid?
The InChIKey is NMLUCHSGWPYBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O6PSi/c1-6-7-8-10(9(11)12,16-18(4)5)17(13,14-2)15-3/h18H,6-8H2,1-5H3,(H,11,12).
What are the key properties of 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid?
2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid has a molecular weight of 298.35 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-2-dimethylsilyloxyhexanoic acid is sourced from PubChem (CID 173255725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).