2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C35H70O10Si5 — CID 68657067

IUPAC2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCCCO[Si]1(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O1
InChIInChI=1S/C35H70O10Si5/c1-6-26-36-46(31-16-11-17-31)41-47(37-27-7-2,32-18-12-19-32)43-49(39-29-9-4,34-22-14-23-34)45-50(40-30-10-5,35-24-15-25-35)44-48(42-46,38-28-8-3)33-20-13-21-33/h31-35H,6-30H2,1-5H3
InChIKeyBGFYAJNYJNVRAZ-UHFFFAOYSA-N
MW791.36 g/mol
LogP9.68
Rot. Bonds20

About 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 68657067) has the molecular formula C35H70O10Si5 and a molecular weight of 791.36 g/mol. Its IUPAC name is 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID68657067
Molecular FormulaC35H70O10Si5
Molecular Weight791.36 g/mol
Exact Mass790.38
IUPAC Name2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCCCO[Si]1(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O1
InChIInChI=1S/C35H70O10Si5/c1-6-26-36-46(31-16-11-17-31)41-47(37-27-7-2,32-18-12-19-32)43-49(39-29-9-4,34-22-14-23-34)45-50(40-30-10-5,35-24-15-25-35)44-48(42-46,38-28-8-3)33-20-13-21-33/h31-35H,6-30H2,1-5H3
InChIKeyBGFYAJNYJNVRAZ-UHFFFAOYSA-N
XLogP9.68
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.36
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 68657067) is 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CCCO[Si]1(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O[Si](OCCC)(C2CCC2)O1.
What is the InChIKey of 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is BGFYAJNYJNVRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70O10Si5/c1-6-26-36-46(31-16-11-17-31)41-47(37-27-7-2,32-18-12-19-32)43-49(39-29-9-4,34-22-14-23-34)45-50(40-30-10-5,35-24-15-25-35)44-48(42-46,38-28-8-3)33-20-13-21-33/h31-35H,6-30H2,1-5H3.
What are the key properties of 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 791.36 g/mol, XLogP of 9.68, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 68657067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).