dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane

C7H21O9PSi — CID 87439087

IUPACdimethoxy hydrogen phosphate;ethyl(trimethoxy)silane
SMILESCC[Si](OC)(OC)OC.COOP(=O)(O)OOC
InChIInChI=1S/C5H14O3Si.C2H7O6P/c1-5-9(6-2,7-3)8-4;1-5-7-9(3,4)8-6-2/h5H2,1-4H3;1-2H3,(H,3,4)
InChIKeyPURLVKZFKHIDRQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.13
Rot. Bonds8

About dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane

dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane (PubChem CID 87439087) has the molecular formula C7H21O9PSi and a molecular weight of 308.30 g/mol. Its IUPAC name is dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane.

Molecular Properties

Compound Namedimethoxy hydrogen phosphate;ethyl(trimethoxy)silane
PubChem CID87439087
Molecular FormulaC7H21O9PSi
Molecular Weight308.30 g/mol
Exact Mass308.07
IUPAC Namedimethoxy hydrogen phosphate;ethyl(trimethoxy)silane
SMILESCC[Si](OC)(OC)OC.COOP(=O)(O)OOC
InChIInChI=1S/C5H14O3Si.C2H7O6P/c1-5-9(6-2,7-3)8-4;1-5-7-9(3,4)8-6-2/h5H2,1-4H3;1-2H3,(H,3,4)
InChIKeyPURLVKZFKHIDRQ-UHFFFAOYSA-N
XLogP1.13
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl(trimethoxy)silane;methane
CID 158127893
ethoxyethane;ethyl(trimethoxy)silane
CID 175316299
dimethylphosphorylmethoxy-ethyl-dimethoxysilane
CID 151316318
(acetyloxy-ethyl-methoxysilyl) acetate
CID 18952615
tert-butyl methoxy hydrogen phosphate
CID 172731458
but-1-ene;methoxy propyl hydrogen phosphate
CID 158547770
[ethyl(dimethoxy)silyl]oxymethanamine
CID 88738935
dipropylphosphorylmethoxy-ethyl-dimethoxysilane
CID 175446444
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid
CID 57078104
anisole;ethyl(trimethoxy)silane
CID 174632605
ethyl bis(methylperoxy)phosphorylformate
CID 54463004

Frequently Asked Questions

What is the IUPAC name of dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane?
The IUPAC name of dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane (CID 87439087) is dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane.
What is the SMILES notation for dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane?
The canonical SMILES for dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane is CC[Si](OC)(OC)OC.COOP(=O)(O)OOC.
What is the InChIKey of dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane?
The InChIKey is PURLVKZFKHIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O3Si.C2H7O6P/c1-5-9(6-2,7-3)8-4;1-5-7-9(3,4)8-6-2/h5H2,1-4H3;1-2H3,(H,3,4).
What are the key properties of dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane?
dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane has a molecular weight of 308.30 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy hydrogen phosphate;ethyl(trimethoxy)silane is sourced from PubChem (CID 87439087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).