2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane

C23H46O4Si3 — CID 174544234

IUPAC2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)OC(C)[Si]1(C2CCCCC2)O[SiH](C2CCCCC2)O[SiH](C2CCCCC2)O1
InChIInChI=1S/C23H46O4Si3/c1-19(2)24-20(3)30(23-17-11-6-12-18-23)26-28(21-13-7-4-8-14-21)25-29(27-30)22-15-9-5-10-16-22/h19-23,28-29H,4-18H2,1-3H3
InChIKeyIKFXAZOJOSBPOX-UHFFFAOYSA-N
MW470.88 g/mol
LogP6.29
Rot. Bonds6

About 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 174544234) has the molecular formula C23H46O4Si3 and a molecular weight of 470.88 g/mol. Its IUPAC name is 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID174544234
Molecular FormulaC23H46O4Si3
Molecular Weight470.88 g/mol
Exact Mass470.27
IUPAC Name2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)OC(C)[Si]1(C2CCCCC2)O[SiH](C2CCCCC2)O[SiH](C2CCCCC2)O1
InChIInChI=1S/C23H46O4Si3/c1-19(2)24-20(3)30(23-17-11-6-12-18-23)26-28(21-13-7-4-8-14-21)25-29(27-30)22-15-9-5-10-16-22/h19-23,28-29H,4-18H2,1-3H3
InChIKeyIKFXAZOJOSBPOX-UHFFFAOYSA-N
XLogP6.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.88
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane (CID 174544234) is 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane is CC(C)OC(C)[Si]1(C2CCCCC2)O[SiH](C2CCCCC2)O[SiH](C2CCCCC2)O1.
What is the InChIKey of 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is IKFXAZOJOSBPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4Si3/c1-19(2)24-20(3)30(23-17-11-6-12-18-23)26-28(21-13-7-4-8-14-21)25-29(27-30)22-15-9-5-10-16-22/h19-23,28-29H,4-18H2,1-3H3.
What are the key properties of 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 470.88 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tricyclohexyl-2-(1-propan-2-yloxyethyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 174544234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).