phosphoric acid;tris(triethylsilane)

C18H51O4PSi3 — CID 158157117

IUPACphosphoric acid;tris(triethylsilane)
SMILESCC[SiH](CC)CC.CC[SiH](CC)CC.CC[SiH](CC)CC.O=P(O)(O)O
InChIInChI=1S/3C6H16Si.H3O4P/c3*1-4-7(5-2)6-3;1-5(2,3)4/h3*7H,4-6H2,1-3H3;(H3,1,2,3,4)
InChIKeyCCJQDNUPMAQEHA-UHFFFAOYSA-N
MW446.83 g/mol
LogP5.89
Rot. Bonds9

About phosphoric acid;tris(triethylsilane)

phosphoric acid;tris(triethylsilane) (PubChem CID 158157117) has the molecular formula C18H51O4PSi3 and a molecular weight of 446.83 g/mol. Its IUPAC name is phosphoric acid;tris(triethylsilane).

Molecular Properties

Compound Namephosphoric acid;tris(triethylsilane)
PubChem CID158157117
Molecular FormulaC18H51O4PSi3
Molecular Weight446.83 g/mol
Exact Mass446.28
IUPAC Namephosphoric acid;tris(triethylsilane)
SMILESCC[SiH](CC)CC.CC[SiH](CC)CC.CC[SiH](CC)CC.O=P(O)(O)O
InChIInChI=1S/3C6H16Si.H3O4P/c3*1-4-7(5-2)6-3;1-5(2,3)4/h3*7H,4-6H2,1-3H3;(H3,1,2,3,4)
InChIKeyCCJQDNUPMAQEHA-UHFFFAOYSA-N
XLogP5.89
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.83
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphane;phosphoric acid
CID 175495046
ethanethiol;phosphoric acid
CID 175577772
triethylsilane;trimethylsilane
CID 159958276
butane;methane;phosphoric acid;hydrate
CID 173079168
sodium;ethanolate;phosphoric acid
CID 158540403
CID 175507157
CID 175507157
hydroxy(dimethyl)silane;phosphoric acid
CID 175364344
dodecane;phosphoric acid
CID 88801558
phosphoric acid;propane-1-thiol
CID 22065553
heptadecan-1-ol;phosphoric acid
CID 174616506
prop-2-enoic acid;triethylsilane
CID 175005870

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;tris(triethylsilane)?
The IUPAC name of phosphoric acid;tris(triethylsilane) (CID 158157117) is phosphoric acid;tris(triethylsilane).
What is the SMILES notation for phosphoric acid;tris(triethylsilane)?
The canonical SMILES for phosphoric acid;tris(triethylsilane) is CC[SiH](CC)CC.CC[SiH](CC)CC.CC[SiH](CC)CC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;tris(triethylsilane)?
The InChIKey is CCJQDNUPMAQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H16Si.H3O4P/c3*1-4-7(5-2)6-3;1-5(2,3)4/h3*7H,4-6H2,1-3H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;tris(triethylsilane)?
phosphoric acid;tris(triethylsilane) has a molecular weight of 446.83 g/mol, XLogP of 5.89, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;tris(triethylsilane) is sourced from PubChem (CID 158157117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).