4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one

C24H42O3Si2 — CID 22337814

IUPAC4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(=O)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H42O3Si2/c1-23(2,3)28(7,8)26-20-15-16-21(18-11-13-19(25)14-12-18)22(17-20)27-29(9,10)24(4,5)6/h15-18H,11-14H2,1-10H3
InChIKeyLOTAPCSLUYMGJN-UHFFFAOYSA-N
MW434.77 g/mol
LogP7.68
Rot. Bonds5

About 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one

4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one (PubChem CID 22337814) has the molecular formula C24H42O3Si2 and a molecular weight of 434.77 g/mol. Its IUPAC name is 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one
PubChem CID22337814
Molecular FormulaC24H42O3Si2
Molecular Weight434.77 g/mol
Exact Mass434.27
IUPAC Name4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(=O)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H42O3Si2/c1-23(2,3)28(7,8)26-20-15-16-21(18-11-13-19(25)14-12-18)22(17-20)27-29(9,10)24(4,5)6/h15-18H,11-14H2,1-10H3
InChIKeyLOTAPCSLUYMGJN-UHFFFAOYSA-N
XLogP7.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.77
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one?
The IUPAC name of 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one (CID 22337814) is 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(=O)CC2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one?
The InChIKey is LOTAPCSLUYMGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3Si2/c1-23(2,3)28(7,8)26-20-15-16-21(18-11-13-19(25)14-12-18)22(17-20)27-29(9,10)24(4,5)6/h15-18H,11-14H2,1-10H3.
What are the key properties of 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one?
4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one has a molecular weight of 434.77 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexan-1-one is sourced from PubChem (CID 22337814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).