2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C28H64O8Si4 — CID 68657161

IUPAC2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCOC[Si]1(C(C)C)O[Si](COCCC)(C(C)C)O[Si](COCCC)(C(C)C)O[Si](COCCC)(C(C)C)O1
InChIInChI=1S/C28H64O8Si4/c1-13-17-29-21-37(25(5)6)33-38(26(7)8,22-30-18-14-2)35-40(28(11)12,24-32-20-16-4)36-39(34-37,27(9)10)23-31-19-15-3/h25-28H,13-24H2,1-12H3
InChIKeyLZGQVUPPONOZHL-UHFFFAOYSA-N
MW641.16 g/mol
LogP7.34
Rot. Bonds20

About 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 68657161) has the molecular formula C28H64O8Si4 and a molecular weight of 641.16 g/mol. Its IUPAC name is 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID68657161
Molecular FormulaC28H64O8Si4
Molecular Weight641.16 g/mol
Exact Mass640.37
IUPAC Name2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCOC[Si]1(C(C)C)O[Si](COCCC)(C(C)C)O[Si](COCCC)(C(C)C)O[Si](COCCC)(C(C)C)O1
InChIInChI=1S/C28H64O8Si4/c1-13-17-29-21-37(25(5)6)33-38(26(7)8,22-30-18-14-2)35-40(28(11)12,24-32-20-16-4)36-39(34-37,27(9)10)23-31-19-15-3/h25-28H,13-24H2,1-12H3
InChIKeyLZGQVUPPONOZHL-UHFFFAOYSA-N
XLogP7.34
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.16
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,8-tetrakis(butoxymethyl)-2,4,6,8-tetrapropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 68656500
2,4,6,8-tetrakis(1-methoxyethyl)-2,4,6,8-tetrapropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 68655932
2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane
CID 68656346
ethane;propane;1-propoxypropane
CID 143757970
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
3-methyl-1-propoxypentane
CID 123388243
1-(propoxymethylsulfanylmethoxy)propane
CID 151305638
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
4-bromo-2-methyl-1-propoxypentane
CID 79569585
1-bromo-4-butoxy-2-methylbutane
CID 66049175

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 68657161) is 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCOC[Si]1(C(C)C)O[Si](COCCC)(C(C)C)O[Si](COCCC)(C(C)C)O[Si](COCCC)(C(C)C)O1.
What is the InChIKey of 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is LZGQVUPPONOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64O8Si4/c1-13-17-29-21-37(25(5)6)33-38(26(7)8,22-30-18-14-2)35-40(28(11)12,24-32-20-16-4)36-39(34-37,27(9)10)23-31-19-15-3/h25-28H,13-24H2,1-12H3.
What are the key properties of 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 641.16 g/mol, XLogP of 7.34, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 68657161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).