5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one

C15H22O2Si — CID 85317106

IUPAC5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one
SMILESC[Si](C)(C)C=C(CCCO)C(=O)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)12-14(10-7-11-16)15(17)13-8-5-4-6-9-13/h4-6,8-9,12,16H,7,10-11H2,1-3H3
InChIKeyNCJIYARXWDDFMX-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.45
Rot. Bonds6

About 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one

5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one (PubChem CID 85317106) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one
PubChem CID85317106
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one
SMILESC[Si](C)(C)C=C(CCCO)C(=O)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)12-14(10-7-11-16)15(17)13-8-5-4-6-9-13/h4-6,8-9,12,16H,7,10-11H2,1-3H3
InChIKeyNCJIYARXWDDFMX-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methylsulfanyl-2-(methylsulfanylmethyl)-1-phenylprop-2-en-1-one
CID 12867403
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
2-(1,2-diphenylethenyl)hex-1-enyl-trimethylsilane
CID 10437633
benzoic acid;bis(propan-1-ol)
CID 175024841
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
benzoic acid;tridecan-1-ol
CID 67710151
acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one?
The IUPAC name of 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one (CID 85317106) is 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one?
The canonical SMILES for 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one is C[Si](C)(C)C=C(CCCO)C(=O)c1ccccc1.
What is the InChIKey of 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one?
The InChIKey is NCJIYARXWDDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-18(2,3)12-14(10-7-11-16)15(17)13-8-5-4-6-9-13/h4-6,8-9,12,16H,7,10-11H2,1-3H3.
What are the key properties of 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one?
5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one has a molecular weight of 262.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-phenyl-2-(trimethylsilylmethylidene)pentan-1-one is sourced from PubChem (CID 85317106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).