tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate

C14H31F3O3Si — CID 87518726

IUPACtetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate
SMILESCC(C)[Si](C(C)C)(C(C)C)C(C)C.O.O=C(O)C(F)(F)F
InChIInChI=1S/C12H28Si.C2HF3O2.H2O/c1-9(2)13(10(3)4,11(5)6)12(7)8;3-2(4,5)1(6)7;/h9-12H,1-8H3;(H,6,7);1H2
InChIKeyWCASJHVMSPFXLW-UHFFFAOYSA-N
MW332.48 g/mol
LogP4.88
Rot. Bonds4

About tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate

tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate (PubChem CID 87518726) has the molecular formula C14H31F3O3Si and a molecular weight of 332.48 g/mol. Its IUPAC name is tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate.

Molecular Properties

Compound Nametetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate
PubChem CID87518726
Molecular FormulaC14H31F3O3Si
Molecular Weight332.48 g/mol
Exact Mass332.20
IUPAC Nametetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate
SMILESCC(C)[Si](C(C)C)(C(C)C)C(C)C.O.O=C(O)C(F)(F)F
InChIInChI=1S/C12H28Si.C2HF3O2.H2O/c1-9(2)13(10(3)4,11(5)6)12(7)8;3-2(4,5)1(6)7;/h9-12H,1-8H3;(H,6,7);1H2
InChIKeyWCASJHVMSPFXLW-UHFFFAOYSA-N
XLogP4.88
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate?
The IUPAC name of tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate (CID 87518726) is tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate.
What is the SMILES notation for tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate?
The canonical SMILES for tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate is CC(C)[Si](C(C)C)(C(C)C)C(C)C.O.O=C(O)C(F)(F)F.
What is the InChIKey of tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate?
The InChIKey is WCASJHVMSPFXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28Si.C2HF3O2.H2O/c1-9(2)13(10(3)4,11(5)6)12(7)8;3-2(4,5)1(6)7;/h9-12H,1-8H3;(H,6,7);1H2.
What are the key properties of tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate?
tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate has a molecular weight of 332.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate is sourced from PubChem (CID 87518726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).