trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane

C7H21O9PSi2 — CID 87097303

IUPACtrihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane
SMILESCCC(OP(C)(=O)OC(CC)[Si](O)(O)O)[Si](O)(O)O
InChIInChI=1S/C7H21O9PSi2/c1-4-6(18(9,10)11)15-17(3,8)16-7(5-2)19(12,13)14/h6-7,9-14H,4-5H2,1-3H3
InChIKeyTZFUPADESHYNFQ-UHFFFAOYSA-N
MW336.38 g/mol
LogP-1.69
Rot. Bonds8

About trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane

trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane (PubChem CID 87097303) has the molecular formula C7H21O9PSi2 and a molecular weight of 336.38 g/mol. Its IUPAC name is trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane.

Molecular Properties

Compound Nametrihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane
PubChem CID87097303
Molecular FormulaC7H21O9PSi2
Molecular Weight336.38 g/mol
Exact Mass336.05
IUPAC Nametrihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane
SMILESCCC(OP(C)(=O)OC(CC)[Si](O)(O)O)[Si](O)(O)O
InChIInChI=1S/C7H21O9PSi2/c1-4-6(18(9,10)11)15-17(3,8)16-7(5-2)19(12,13)14/h6-7,9-14H,4-5H2,1-3H3
InChIKeyTZFUPADESHYNFQ-UHFFFAOYSA-N
XLogP-1.69
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.38
LogP ≤ 5-1.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane?
The IUPAC name of trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane (CID 87097303) is trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane.
What is the SMILES notation for trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane?
The canonical SMILES for trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane is CCC(OP(C)(=O)OC(CC)[Si](O)(O)O)[Si](O)(O)O.
What is the InChIKey of trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane?
The InChIKey is TZFUPADESHYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21O9PSi2/c1-4-6(18(9,10)11)15-17(3,8)16-7(5-2)19(12,13)14/h6-7,9-14H,4-5H2,1-3H3.
What are the key properties of trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane?
trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane has a molecular weight of 336.38 g/mol, XLogP of -1.69, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane is sourced from PubChem (CID 87097303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).