2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid

C11H25O6PSi — CID 154503484

IUPAC2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid
SMILESCCCCC(CC)C(O[SiH](C)C)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C11H25O6PSi/c1-5-7-8-9(6-2)11(10(12)13,17-19(3)4)18(14,15)16/h9,19H,5-8H2,1-4H3,(H,12,13)(H2,14,15,16)
InChIKeyDLLOTRBJMDFJFH-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.16
Rot. Bonds9

About 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid

2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid (PubChem CID 154503484) has the molecular formula C11H25O6PSi and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid.

Molecular Properties

Compound Name2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid
PubChem CID154503484
Molecular FormulaC11H25O6PSi
Molecular Weight312.38 g/mol
Exact Mass312.12
IUPAC Name2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid
SMILESCCCCC(CC)C(O[SiH](C)C)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C11H25O6PSi/c1-5-7-8-9(6-2)11(10(12)13,17-19(3)4)18(14,15)16/h9,19H,5-8H2,1-4H3,(H,12,13)(H2,14,15,16)
InChIKeyDLLOTRBJMDFJFH-UHFFFAOYSA-N
XLogP2.16
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
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

sodium;2-heptan-3-yl-2-methylpropanedioic acid;hydride
CID 175370933
(4-dimethylsilyloxy-2-oxooctyl)phosphonic acid
CID 173220807
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
3-ethyl-2,2-dimethylheptane
CID 20686447
azane;2,3,3-tributyl-2,4-diethyloctanoic acid
CID 174659015
3-ethyl-2-methyl-2-(5-methylhexyl)decanoic acid
CID 151889594
2-hydroxy-2-octan-3-ylbutanedioic acid
CID 174589839
dibutyl hydrogen phosphate;13-dodecyl-14-ethylhexacosan-13-amine
CID 173439304
(6-ethyl-5-propylundecan-5-yl) dihydrogen phosphate
CID 87344342
methyl 3-ethyl-2-hydroxy-2-propan-2-ylheptanoate
CID 79298011
2-butyl-2-dodecan-5-ylpropanedioic acid
CID 156789109
bis(2-ethylhexyl) hydrogen phosphate;2-chloropropanoic acid
CID 174379477

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid?
The IUPAC name of 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid (CID 154503484) is 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid.
What is the SMILES notation for 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid?
The canonical SMILES for 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid is CCCCC(CC)C(O[SiH](C)C)(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid?
The InChIKey is DLLOTRBJMDFJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O6PSi/c1-5-7-8-9(6-2)11(10(12)13,17-19(3)4)18(14,15)16/h9,19H,5-8H2,1-4H3,(H,12,13)(H2,14,15,16).
What are the key properties of 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid?
2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid has a molecular weight of 312.38 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxy-3-ethyl-2-phosphonoheptanoic acid is sourced from PubChem (CID 154503484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).