1,1,2-tris(trimethylsilyl)propane-1,2,3-triol

C12H32O3Si3 — CID 22022602

IUPAC1,1,2-tris(trimethylsilyl)propane-1,2,3-triol
SMILESC[Si](C)(C)C(O)(CO)C(O)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H32O3Si3/c1-16(2,3)11(14,10-13)12(15,17(4,5)6)18(7,8)9/h13-15H,10H2,1-9H3
InChIKeyMPSCKVALZAUZJC-UHFFFAOYSA-N
MW308.64 g/mol
LogP2.07
Rot. Bonds5

About 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol

1,1,2-tris(trimethylsilyl)propane-1,2,3-triol (PubChem CID 22022602) has the molecular formula C12H32O3Si3 and a molecular weight of 308.64 g/mol. Its IUPAC name is 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1,1,2-tris(trimethylsilyl)propane-1,2,3-triol
PubChem CID22022602
Molecular FormulaC12H32O3Si3
Molecular Weight308.64 g/mol
Exact Mass308.17
IUPAC Name1,1,2-tris(trimethylsilyl)propane-1,2,3-triol
SMILESC[Si](C)(C)C(O)(CO)C(O)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H32O3Si3/c1-16(2,3)11(14,10-13)12(15,17(4,5)6)18(7,8)9/h13-15H,10H2,1-9H3
InChIKeyMPSCKVALZAUZJC-UHFFFAOYSA-N
XLogP2.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol?
The IUPAC name of 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol (CID 22022602) is 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol.
What is the SMILES notation for 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol?
The canonical SMILES for 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol is C[Si](C)(C)C(O)(CO)C(O)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol?
The InChIKey is MPSCKVALZAUZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32O3Si3/c1-16(2,3)11(14,10-13)12(15,17(4,5)6)18(7,8)9/h13-15H,10H2,1-9H3.
What are the key properties of 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol?
1,1,2-tris(trimethylsilyl)propane-1,2,3-triol has a molecular weight of 308.64 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(trimethylsilyl)propane-1,2,3-triol is sourced from PubChem (CID 22022602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).