2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane

C22H66O11Si11 — CID 519600

IUPAC2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C22H66O11Si11/c1-34(2)23-35(3,4)25-37(7,8)27-39(11,12)29-41(15,16)31-43(19,20)33-44(21,22)32-42(17,18)30-40(13,14)28-38(9,10)26-36(5,6)24-34/h1-22H3
InChIKeyQKFCLXPIIJGSQB-UHFFFAOYSA-N
MW815.70 g/mol
LogP7.90
Rot. Bonds

About 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane

2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane (PubChem CID 519600) has the molecular formula C22H66O11Si11 and a molecular weight of 815.70 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
PubChem CID519600
Molecular FormulaC22H66O11Si11
Molecular Weight815.70 g/mol
Exact Mass814.21
IUPAC Name2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C22H66O11Si11/c1-34(2)23-35(3,4)25-37(7,8)27-39(11,12)29-41(15,16)31-43(19,20)33-44(21,22)32-42(17,18)30-40(13,14)28-38(9,10)26-36(5,6)24-34/h1-22H3
InChIKeyQKFCLXPIIJGSQB-UHFFFAOYSA-N
XLogP7.90
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.70
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane (CID 519600) is 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane is C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The InChIKey is QKFCLXPIIJGSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H66O11Si11/c1-34(2)23-35(3,4)25-37(7,8)27-39(11,12)29-41(15,16)31-43(19,20)33-44(21,22)32-42(17,18)30-40(13,14)28-38(9,10)26-36(5,6)24-34/h1-22H3.
What are the key properties of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane has a molecular weight of 815.70 g/mol, XLogP of 7.90, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane is sourced from PubChem (CID 519600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).