1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol

C9H26O6Si4 — CID 123280825

IUPAC1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol
SMILESCC(O)COCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1
InChIInChI=1S/C9H26O6Si4/c1-9(10)8-11-6-7-19(5)14-17(3)12-16(2)13-18(4)15-19/h9-10,16-18H,6-8H2,1-5H3
InChIKeyPNORHKCMWDBHIN-UHFFFAOYSA-N
MW342.65 g/mol
LogP0.09
Rot. Bonds5

About 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol

1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol (PubChem CID 123280825) has the molecular formula C9H26O6Si4 and a molecular weight of 342.65 g/mol. Its IUPAC name is 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol
PubChem CID123280825
Molecular FormulaC9H26O6Si4
Molecular Weight342.65 g/mol
Exact Mass342.08
IUPAC Name1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol
SMILESCC(O)COCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1
InChIInChI=1S/C9H26O6Si4/c1-9(10)8-11-6-7-19(5)14-17(3)12-16(2)13-18(4)15-19/h9-10,16-18H,6-8H2,1-5H3
InChIKeyPNORHKCMWDBHIN-UHFFFAOYSA-N
XLogP0.09
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol (CID 123280825) is 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol is CC(O)COCC[Si]1(C)O[SiH](C)O[SiH](C)O[SiH](C)O1.
What is the InChIKey of 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol?
The InChIKey is PNORHKCMWDBHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26O6Si4/c1-9(10)8-11-6-7-19(5)14-17(3)12-16(2)13-18(4)15-19/h9-10,16-18H,6-8H2,1-5H3.
What are the key properties of 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol?
1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol has a molecular weight of 342.65 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 123280825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).