3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

C26H62O12Si7 — CID 636101

IUPAC3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESCCCCO[Si]1(CC)O[Si]2(CC)O[Si](CC)(OCCCC)O[Si]3(CC)O[Si](CC)(OCCCC)O[Si](CC)(O1)O[Si](CC)(O2)O3
InChIInChI=1S/C26H62O12Si7/c1-11-21-24-27-39(14-4)30-42(17-7)32-40(15-5,28-25-22-12-2)34-44(19-9)35-41(16-6,29-26-23-13-3)33-43(18-8,31-39)37-45(20-10,36-42)38-44/h11-26H2,1-10H3
InChIKeyVKZLPYBOWYKLBO-UHFFFAOYSA-N
MW763.37 g/mol
LogP7.34
Rot. Bonds19

About 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (PubChem CID 636101) has the molecular formula C26H62O12Si7 and a molecular weight of 763.37 g/mol. Its IUPAC name is 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.

Molecular Properties

Compound Name3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
PubChem CID636101
Molecular FormulaC26H62O12Si7
Molecular Weight763.37 g/mol
Exact Mass762.26
IUPAC Name3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESCCCCO[Si]1(CC)O[Si]2(CC)O[Si](CC)(OCCCC)O[Si]3(CC)O[Si](CC)(OCCCC)O[Si](CC)(O1)O[Si](CC)(O2)O3
InChIInChI=1S/C26H62O12Si7/c1-11-21-24-27-39(14-4)30-42(17-7)32-40(15-5,28-25-22-12-2)34-44(19-9)35-41(16-6,29-26-23-13-3)33-43(18-8,31-39)37-45(20-10,36-42)38-44/h11-26H2,1-10H3
InChIKeyVKZLPYBOWYKLBO-UHFFFAOYSA-N
XLogP7.34
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.37
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The IUPAC name of 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (CID 636101) is 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.
What is the SMILES notation for 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The canonical SMILES for 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is CCCCO[Si]1(CC)O[Si]2(CC)O[Si](CC)(OCCCC)O[Si]3(CC)O[Si](CC)(OCCCC)O[Si](CC)(O1)O[Si](CC)(O2)O3.
What is the InChIKey of 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The InChIKey is VKZLPYBOWYKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62O12Si7/c1-11-21-24-27-39(14-4)30-42(17-7)32-40(15-5,28-25-22-12-2)34-44(19-9)35-41(16-6,29-26-23-13-3)33-43(18-8,31-39)37-45(20-10,36-42)38-44/h11-26H2,1-10H3.
What are the key properties of 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane has a molecular weight of 763.37 g/mol, XLogP of 7.34, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,14-tributoxy-1,3,5,7,9,11,14-heptaethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is sourced from PubChem (CID 636101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).