1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol

C21H48O3Si2 — CID 87506083

IUPAC1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol
SMILESCC(C)[Si](C(C)C)(C(C)C)C(O)C(O)C(O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H48O3Si2/c1-13(2)25(14(3)4,15(5)6)20(23)19(22)21(24)26(16(7)8,17(9)10)18(11)12/h13-24H,1-12H3
InChIKeyGIYQWZXVSWVSEB-UHFFFAOYSA-N
MW404.78 g/mol
LogP5.51
Rot. Bonds10

About 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol

1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol (PubChem CID 87506083) has the molecular formula C21H48O3Si2 and a molecular weight of 404.78 g/mol. Its IUPAC name is 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol
PubChem CID87506083
Molecular FormulaC21H48O3Si2
Molecular Weight404.78 g/mol
Exact Mass404.31
IUPAC Name1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol
SMILESCC(C)[Si](C(C)C)(C(C)C)C(O)C(O)C(O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H48O3Si2/c1-13(2)25(14(3)4,15(5)6)20(23)19(22)21(24)26(16(7)8,17(9)10)18(11)12/h13-24H,1-12H3
InChIKeyGIYQWZXVSWVSEB-UHFFFAOYSA-N
XLogP5.51
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 55.51
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 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol?
The IUPAC name of 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol (CID 87506083) is 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol.
What is the SMILES notation for 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol?
The canonical SMILES for 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol is CC(C)[Si](C(C)C)(C(C)C)C(O)C(O)C(O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol?
The InChIKey is GIYQWZXVSWVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O3Si2/c1-13(2)25(14(3)4,15(5)6)20(23)19(22)21(24)26(16(7)8,17(9)10)18(11)12/h13-24H,1-12H3.
What are the key properties of 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol?
1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol has a molecular weight of 404.78 g/mol, XLogP of 5.51, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tri(propan-2-yl)silyl]propane-1,2,3-triol is sourced from PubChem (CID 87506083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).