1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol

C21H48O3Si2 — CID 10960470

IUPAC1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol
SMILESCC(C)[Si](OCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H48O3Si2/c1-15(2)25(16(3)4,17(5)6)23-13-21(22)14-24-26(18(7)8,19(9)10)20(11)12/h15-22H,13-14H2,1-12H3
InChIKeyAWWCRMADSGPACI-UHFFFAOYSA-N
MW404.78 g/mol
LogP6.73
Rot. Bonds12

About 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol

1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol (PubChem CID 10960470) 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)silyloxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol
PubChem CID10960470
Molecular FormulaC21H48O3Si2
Molecular Weight404.78 g/mol
Exact Mass404.31
IUPAC Name1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol
SMILESCC(C)[Si](OCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H48O3Si2/c1-15(2)25(16(3)4,17(5)6)23-13-21(22)14-24-26(18(7)8,19(9)10)20(11)12/h15-22H,13-14H2,1-12H3
InChIKeyAWWCRMADSGPACI-UHFFFAOYSA-N
XLogP6.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 56.73
H-Bond Donors ≤ 51
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)silyloxy]propan-2-ol?
The IUPAC name of 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol (CID 10960470) is 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol?
The canonical SMILES for 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol is CC(C)[Si](OCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol?
The InChIKey is AWWCRMADSGPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O3Si2/c1-15(2)25(16(3)4,17(5)6)23-13-21(22)14-24-26(18(7)8,19(9)10)20(11)12/h15-22H,13-14H2,1-12H3.
What are the key properties of 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol?
1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol has a molecular weight of 404.78 g/mol, XLogP of 6.73, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tri(propan-2-yl)silyloxy]propan-2-ol is sourced from PubChem (CID 10960470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).