ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane

C26H62O3Si7 — CID 67018019

IUPACethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane
SMILESCC[Si]([Si]1(C)CCC(C)(C)O[Si]1(C)C)([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C26H62O3Si7/c1-17-36(33(14)21-18-24(2,3)27-30(33,8)9,34(15)22-19-25(4,5)28-31(34,10)11)35(16)23-20-26(6,7)29-32(35,12)13/h17-23H2,1-16H3
InChIKeyJEBXRQYZAWBQOW-UHFFFAOYSA-N
MW619.38 g/mol
LogP8.37
Rot. Bonds4

About ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane

ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane (PubChem CID 67018019) has the molecular formula C26H62O3Si7 and a molecular weight of 619.38 g/mol. Its IUPAC name is ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane.

Molecular Properties

Compound Nameethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane
PubChem CID67018019
Molecular FormulaC26H62O3Si7
Molecular Weight619.38 g/mol
Exact Mass618.31
IUPAC Nameethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane
SMILESCC[Si]([Si]1(C)CCC(C)(C)O[Si]1(C)C)([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C26H62O3Si7/c1-17-36(33(14)21-18-24(2,3)27-30(33,8)9,34(15)22-19-25(4,5)28-31(34,10)11)35(16)23-20-26(6,7)29-32(35,12)13/h17-23H2,1-16H3
InChIKeyJEBXRQYZAWBQOW-UHFFFAOYSA-N
XLogP8.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.38
LogP ≤ 58.37
H-Bond Donors ≤ 50
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 ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane?
The IUPAC name of ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane (CID 67018019) is ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane.
What is the SMILES notation for ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane?
The canonical SMILES for ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane is CC[Si]([Si]1(C)CCC(C)(C)O[Si]1(C)C)([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C.
What is the InChIKey of ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane?
The InChIKey is JEBXRQYZAWBQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62O3Si7/c1-17-36(33(14)21-18-24(2,3)27-30(33,8)9,34(15)22-19-25(4,5)28-31(34,10)11)35(16)23-20-26(6,7)29-32(35,12)13/h17-23H2,1-16H3.
What are the key properties of ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane?
ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane has a molecular weight of 619.38 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane is sourced from PubChem (CID 67018019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).