acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane

C9H26O5Si3 — CID 57358609

IUPACacetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane
SMILESCC(=O)O.C[Si](C)(C)O[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C7H22O3Si3.C2H4O2/c1-11(2,3)9-13(7,8)10-12(4,5)6;1-2(3)4/h8H,1-7H3;1H3,(H,3,4)
InChIKeyPSJJPALJYKEUPZ-UHFFFAOYSA-N
MW298.56 g/mol
LogP2.34
Rot. Bonds4

About acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane

acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane (PubChem CID 57358609) has the molecular formula C9H26O5Si3 and a molecular weight of 298.56 g/mol. Its IUPAC name is acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Nameacetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane
PubChem CID57358609
Molecular FormulaC9H26O5Si3
Molecular Weight298.56 g/mol
Exact Mass298.11
IUPAC Nameacetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane
SMILESCC(=O)O.C[Si](C)(C)O[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C7H22O3Si3.C2H4O2/c1-11(2,3)9-13(7,8)10-12(4,5)6;1-2(3)4/h8H,1-7H3;1H3,(H,3,4)
InChIKeyPSJJPALJYKEUPZ-UHFFFAOYSA-N
XLogP2.34
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane?
The IUPAC name of acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane (CID 57358609) is acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane.
What is the SMILES notation for acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane?
The canonical SMILES for acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane is CC(=O)O.C[Si](C)(C)O[Si](C)(O)O[Si](C)(C)C.
What is the InChIKey of acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane?
The InChIKey is PSJJPALJYKEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H22O3Si3.C2H4O2/c1-11(2,3)9-13(7,8)10-12(4,5)6;1-2(3)4/h8H,1-7H3;1H3,(H,3,4).
What are the key properties of acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane?
acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane has a molecular weight of 298.56 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;hydroxy-methyl-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 57358609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).