2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane

C36H66O3Si3 — CID 140681788

IUPAC2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC1CCC([Si]2(C3CCCCC3)O[Si](C3CCCCC3)(C3CCCCC3)O[Si](C3CCCCC3)(C3CCCCC3)O2)CC1
InChIInChI=1S/C36H66O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h31-36H,1-30H2
InChIKeyKSHXMBZGEVBSTC-UHFFFAOYSA-N
MW631.18 g/mol
LogP12.38
Rot. Bonds6

About 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane

2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 140681788) has the molecular formula C36H66O3Si3 and a molecular weight of 631.18 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID140681788
Molecular FormulaC36H66O3Si3
Molecular Weight631.18 g/mol
Exact Mass630.43
IUPAC Name2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC1CCC([Si]2(C3CCCCC3)O[Si](C3CCCCC3)(C3CCCCC3)O[Si](C3CCCCC3)(C3CCCCC3)O2)CC1
InChIInChI=1S/C36H66O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h31-36H,1-30H2
InChIKeyKSHXMBZGEVBSTC-UHFFFAOYSA-N
XLogP12.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.18
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5,7,9,11,13,15,17,19-decacyclopentyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
CID 139045101
1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-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 4549737
1,3-dicyclohexyl-1,3-dimethyl-1,3-disiletane
CID 155899508
2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane
CID 68656094
2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane
CID 68656499
2,6-dicyclohexyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 175419281
(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane
CID 101363185
1,3,5,7,9,11,15-heptacyclohexyl-7-hydroxy-13,13-dimethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane
CID 101363187
2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane
CID 163773600
bis(1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trioxido-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane);N,N,N',N'-tetramethylethane-1,2-diamine;uranium
CID 139170070
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane (CID 140681788) is 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane is C1CCC([Si]2(C3CCCCC3)O[Si](C3CCCCC3)(C3CCCCC3)O[Si](C3CCCCC3)(C3CCCCC3)O2)CC1.
What is the InChIKey of 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is KSHXMBZGEVBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h31-36H,1-30H2.
What are the key properties of 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane?
2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 631.18 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 140681788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).