1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane

C20H52O6Si8 — CID 59782532

IUPAC1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane
SMILESC[Si]1(C)CC[Si](C)(C)O[Si]2(C)CC[Si](C)(O1)O[Si]1(C)CC[Si](C)(O[Si](C)(C)CC[Si](C)(C)O1)O2
InChIInChI=1S/C20H52O6Si8/c1-27(2)13-14-28(3,4)22-33(11)18-17-31(9,21-27)25-32(10)19-20-34(12,26-33)24-30(7,8)16-15-29(5,6)23-32/h13-20H2,1-12H3
InChIKeyDVPYNDACVLSTLV-UHFFFAOYSA-N
MW613.32 g/mol
LogP7.24
Rot. Bonds

About 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane

1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane (PubChem CID 59782532) has the molecular formula C20H52O6Si8 and a molecular weight of 613.32 g/mol. Its IUPAC name is 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane.

Molecular Properties

Compound Name1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane
PubChem CID59782532
Molecular FormulaC20H52O6Si8
Molecular Weight613.32 g/mol
Exact Mass612.19
IUPAC Name1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane
SMILESC[Si]1(C)CC[Si](C)(C)O[Si]2(C)CC[Si](C)(O1)O[Si]1(C)CC[Si](C)(O[Si](C)(C)CC[Si](C)(C)O1)O2
InChIInChI=1S/C20H52O6Si8/c1-27(2)13-14-28(3,4)22-33(11)18-17-31(9,21-27)25-32(10)19-20-34(12,26-33)24-30(7,8)16-15-29(5,6)23-32/h13-20H2,1-12H3
InChIKeyDVPYNDACVLSTLV-UHFFFAOYSA-N
XLogP7.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.32
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane?
The IUPAC name of 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane (CID 59782532) is 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane.
What is the SMILES notation for 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane?
The canonical SMILES for 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane is C[Si]1(C)CC[Si](C)(C)O[Si]2(C)CC[Si](C)(O1)O[Si]1(C)CC[Si](C)(O[Si](C)(C)CC[Si](C)(C)O1)O2.
What is the InChIKey of 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane?
The InChIKey is DVPYNDACVLSTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H52O6Si8/c1-27(2)13-14-28(3,4)22-33(11)18-17-31(9,21-27)25-32(10)19-20-34(12,26-33)24-30(7,8)16-15-29(5,6)23-32/h13-20H2,1-12H3.
What are the key properties of 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane?
1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane has a molecular weight of 613.32 g/mol, XLogP of 7.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5,8,8,10,12,14,14,17,17-dodecamethyl-2,4,9,11,13,18-hexaoxa-1,3,5,8,10,12,14,17-octasilatricyclo[10.6.2.23,10]docosane is sourced from PubChem (CID 59782532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).