2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane

C33H90O12Si12 — CID 158551467

IUPAC2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C13H36O5Si5.C11H30O4Si4.C9H24O3Si3/c1-11-12-13-23(10)17-21(6,7)15-19(2,3)14-20(4,5)16-22(8,9)18-23;1-9-10-11-19(8)14-17(4,5)12-16(2,3)13-18(6,7)15-19;1-7-8-9-15(6)11-13(2,3)10-14(4,5)12-15/h11-13H2,1-10H3;9-11H2,1-8H3;7-9H2,1-6H3
InChIKeyHPTVACFYLRKOCS-UHFFFAOYSA-N
MW1016.10 g/mol
LogP12.13
Rot. Bonds9

About 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane

2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 158551467) has the molecular formula C33H90O12Si12 and a molecular weight of 1016.10 g/mol. Its IUPAC name is 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID158551467
Molecular FormulaC33H90O12Si12
Molecular Weight1016.10 g/mol
Exact Mass1014.37
IUPAC Name2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C13H36O5Si5.C11H30O4Si4.C9H24O3Si3/c1-11-12-13-23(10)17-21(6,7)15-19(2,3)14-20(4,5)16-22(8,9)18-23;1-9-10-11-19(8)14-17(4,5)12-16(2,3)13-18(6,7)15-19;1-7-8-9-15(6)11-13(2,3)10-14(4,5)12-15/h11-13H2,1-10H3;9-11H2,1-8H3;7-9H2,1-6H3
InChIKeyHPTVACFYLRKOCS-UHFFFAOYSA-N
XLogP12.13
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.10
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane with MolForge

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Related Compounds

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CID 20511037
2-butyl-8-ethyl-2,4,4,6,6,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilonane
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2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58021544
2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 20691840
N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine
CID 154103709
3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile
CID 6429713
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
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
CID 528782
3-methyl-3-undecyldioxasilirane
CID 175063520
[4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium
CID 22165010
(2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl)methanol
CID 90801151

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane (CID 158551467) is 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane is CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is HPTVACFYLRKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H36O5Si5.C11H30O4Si4.C9H24O3Si3/c1-11-12-13-23(10)17-21(6,7)15-19(2,3)14-20(4,5)16-22(8,9)18-23;1-9-10-11-19(8)14-17(4,5)12-16(2,3)13-18(6,7)15-19;1-7-8-9-15(6)11-13(2,3)10-14(4,5)12-15/h11-13H2,1-10H3;9-11H2,1-8H3;7-9H2,1-6H3.
What are the key properties of 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane?
2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 1016.10 g/mol, XLogP of 12.13, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 158551467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).