1-phenyl-1-tri(propan-2-yl)silylpropan-2-one

C18H30OSi — CID 174939299

IUPAC1-phenyl-1-tri(propan-2-yl)silylpropan-2-one
SMILESCC(=O)C(c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-13(2)20(14(3)4,15(5)6)18(16(7)19)17-11-9-8-10-12-17/h8-15,18H,1-7H3
InChIKeyHTBUZMPCTXTSLM-UHFFFAOYSA-N
MW290.52 g/mol
LogP5.58
Rot. Bonds6

About 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one

1-phenyl-1-tri(propan-2-yl)silylpropan-2-one (PubChem CID 174939299) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one.

Molecular Properties

Compound Name1-phenyl-1-tri(propan-2-yl)silylpropan-2-one
PubChem CID174939299
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name1-phenyl-1-tri(propan-2-yl)silylpropan-2-one
SMILESCC(=O)C(c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-13(2)20(14(3)4,15(5)6)18(16(7)19)17-11-9-8-10-12-17/h8-15,18H,1-7H3
InChIKeyHTBUZMPCTXTSLM-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
acetic acid;cumene
CID 172767405
(3R,4R)-3-methyl-4-phenylpentan-2-one
CID 13413213
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
(3S,4S)-3-methyl-4-phenylpentan-2-one
CID 13413211
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
1-iodo-1-phenylpropan-2-one
CID 11322912
2-acetyl-3-phenylbutanoic acid
CID 12561389
3-methyl-5-phenylhexan-2-one
CID 22898138
acetic acid;2-phenylpropane-1,1-diol
CID 57375719
1-chloro-1-phenylpropan-2-one;ethane
CID 143290485

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one?
The IUPAC name of 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one (CID 174939299) is 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one.
What is the SMILES notation for 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one?
The canonical SMILES for 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one is CC(=O)C(c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one?
The InChIKey is HTBUZMPCTXTSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-13(2)20(14(3)4,15(5)6)18(16(7)19)17-11-9-8-10-12-17/h8-15,18H,1-7H3.
What are the key properties of 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one?
1-phenyl-1-tri(propan-2-yl)silylpropan-2-one has a molecular weight of 290.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-tri(propan-2-yl)silylpropan-2-one is sourced from PubChem (CID 174939299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).