4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one

C19H32O2Si — CID 86001125

IUPAC4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(C)[Si](OCC(=O)CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H32O2Si/c1-15(2)22(16(3)4,17(5)6)21-14-19(20)13-12-18-10-8-7-9-11-18/h7-11,15-17H,12-14H2,1-6H3
InChIKeyIUICBWLWKXCNPR-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.38
Rot. Bonds9

About 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one

4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one (PubChem CID 86001125) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one.

Molecular Properties

Compound Name4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one
PubChem CID86001125
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(C)[Si](OCC(=O)CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H32O2Si/c1-15(2)22(16(3)4,17(5)6)21-14-19(20)13-12-18-10-8-7-9-11-18/h7-11,15-17H,12-14H2,1-6H3
InChIKeyIUICBWLWKXCNPR-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.38
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-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one?
The IUPAC name of 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one (CID 86001125) is 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one.
What is the SMILES notation for 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one?
The canonical SMILES for 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one is CC(C)[Si](OCC(=O)CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one?
The InChIKey is IUICBWLWKXCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-15(2)22(16(3)4,17(5)6)21-14-19(20)13-12-18-10-8-7-9-11-18/h7-11,15-17H,12-14H2,1-6H3.
What are the key properties of 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one?
4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one has a molecular weight of 320.55 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-tri(propan-2-yl)silyloxybutan-2-one is sourced from PubChem (CID 86001125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).