1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane

C12H36O10Si8 — CID 20681868

IUPAC1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane
SMILESC[Si]1(C)O[Si](C)(C)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(O1)O2
InChIInChI=1S/C12H36O10Si8/c1-23(2)13-24(3,4)16-28(10)19-27(9,15-23)21-29(11)17-25(5,6)14-26(7,8)18-30(12,20-29)22-28/h1-12H3
InChIKeyJHGDGJKVMBYLKE-UHFFFAOYSA-N
MW565.10 g/mol
LogP3.28
Rot. Bonds

About 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane

1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane (PubChem CID 20681868) has the molecular formula C12H36O10Si8 and a molecular weight of 565.10 g/mol. Its IUPAC name is 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane.

Molecular Properties

Compound Name1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane
PubChem CID20681868
Molecular FormulaC12H36O10Si8
Molecular Weight565.10 g/mol
Exact Mass564.05
IUPAC Name1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane
SMILESC[Si]1(C)O[Si](C)(C)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(O1)O2
InChIInChI=1S/C12H36O10Si8/c1-23(2)13-24(3,4)16-28(10)19-27(9,15-23)21-29(11)17-25(5,6)14-26(7,8)18-30(12,20-29)22-28/h1-12H3
InChIKeyJHGDGJKVMBYLKE-UHFFFAOYSA-N
XLogP3.28
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane?
The IUPAC name of 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane (CID 20681868) is 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane.
What is the SMILES notation for 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane?
The canonical SMILES for 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane is C[Si]1(C)O[Si](C)(C)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(O1)O2.
What is the InChIKey of 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane?
The InChIKey is JHGDGJKVMBYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36O10Si8/c1-23(2)13-24(3,4)16-28(10)19-27(9,15-23)21-29(11)17-25(5,6)14-26(7,8)18-30(12,20-29)22-28/h1-12H3.
What are the key properties of 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane?
1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane has a molecular weight of 565.10 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5,7,7,9,11,13,13,15,15-dodecamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecane is sourced from PubChem (CID 20681868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).