2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one

C19H30OSi — CID 53342867

IUPAC2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one
SMILESC=C(CC(C)C(=O)CCCC)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-7-13-19(20)17(3)14-16(2)15-21(4,5)18-11-9-8-10-12-18/h8-12,17H,2,6-7,13-15H2,1,3-5H3
InChIKeyFWCMJBQYLMUQSG-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.94
Rot. Bonds9

About 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one

2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one (PubChem CID 53342867) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one.

Molecular Properties

Compound Name2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one
PubChem CID53342867
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one
SMILESC=C(CC(C)C(=O)CCCC)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-7-13-19(20)17(3)14-16(2)15-21(4,5)18-11-9-8-10-12-18/h8-12,17H,2,6-7,13-15H2,1,3-5H3
InChIKeyFWCMJBQYLMUQSG-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(3-methylidenenonyl)-phenylsilane
CID 66553844
3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal
CID 11254347
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
(2S,3S)-3-methyl-2-phenyloctan-4-one
CID 100930567
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
3-methyl-4-oxopentadecanoic acid
CID 58687449
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
icosyl-dimethyl-phenylsilane
CID 91054385
4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one
CID 15416358

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one?
The IUPAC name of 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one (CID 53342867) is 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one.
What is the SMILES notation for 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one?
The canonical SMILES for 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one is C=C(CC(C)C(=O)CCCC)C[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one?
The InChIKey is FWCMJBQYLMUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30OSi/c1-6-7-13-19(20)17(3)14-16(2)15-21(4,5)18-11-9-8-10-12-18/h8-12,17H,2,6-7,13-15H2,1,3-5H3.
What are the key properties of 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one?
2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one has a molecular weight of 302.53 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one is sourced from PubChem (CID 53342867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).