4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one

C22H36O2Si — CID 59417572

IUPAC4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one
SMILESCC(C)[Si](OCc1ccc(C2CCC(=O)CC2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C22H36O2Si/c1-16(2)25(17(3)4,18(5)6)24-15-19-7-9-20(10-8-19)21-11-13-22(23)14-12-21/h7-10,16-18,21H,11-15H2,1-6H3
InChIKeyFDEXGUYTTRKQOH-UHFFFAOYSA-N
MW360.61 g/mol
LogP6.61
Rot. Bonds7

About 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one

4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one (PubChem CID 59417572) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one
PubChem CID59417572
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Name4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one
SMILESCC(C)[Si](OCc1ccc(C2CCC(=O)CC2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C22H36O2Si/c1-16(2)25(17(3)4,18(5)6)24-15-19-7-9-20(10-8-19)21-11-13-22(23)14-12-21/h7-10,16-18,21H,11-15H2,1-6H3
InChIKeyFDEXGUYTTRKQOH-UHFFFAOYSA-N
XLogP6.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one?
The IUPAC name of 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one (CID 59417572) is 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one is CC(C)[Si](OCc1ccc(C2CCC(=O)CC2)cc1)(C(C)C)C(C)C.
What is the InChIKey of 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one?
The InChIKey is FDEXGUYTTRKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-16(2)25(17(3)4,18(5)6)24-15-19-7-9-20(10-8-19)21-11-13-22(23)14-12-21/h7-10,16-18,21H,11-15H2,1-6H3.
What are the key properties of 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one?
4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one has a molecular weight of 360.61 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]cyclohexan-1-one is sourced from PubChem (CID 59417572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).