methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate

C18H23NO3Si — CID 101341540

IUPACmethyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate
SMILESCOC(=O)CC(c1ccc(CO)nc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H23NO3Si/c1-22-18(21)11-17(14-9-10-15(13-20)19-12-14)23(2,3)16-7-5-4-6-8-16/h4-10,12,17,20H,11,13H2,1-3H3
InChIKeyDFTYOBODASZUOM-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.38
Rot. Bonds6

About methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate

methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate (PubChem CID 101341540) has the molecular formula C18H23NO3Si and a molecular weight of 329.47 g/mol. Its IUPAC name is methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate
PubChem CID101341540
Molecular FormulaC18H23NO3Si
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Namemethyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate
SMILESCOC(=O)CC(c1ccc(CO)nc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H23NO3Si/c1-22-18(21)11-17(14-9-10-15(13-20)19-12-14)23(2,3)16-7-5-4-6-8-16/h4-10,12,17,20H,11,13H2,1-3H3
InChIKeyDFTYOBODASZUOM-UHFFFAOYSA-N
XLogP2.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate
CID 10498884
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
CID 584995
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate
CID 10745173
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407

Frequently Asked Questions

What is the IUPAC name of methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate?
The IUPAC name of methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate (CID 101341540) is methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate is COC(=O)CC(c1ccc(CO)nc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate?
The InChIKey is DFTYOBODASZUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3Si/c1-22-18(21)11-17(14-9-10-15(13-20)19-12-14)23(2,3)16-7-5-4-6-8-16/h4-10,12,17,20H,11,13H2,1-3H3.
What are the key properties of methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate?
methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate has a molecular weight of 329.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate is sourced from PubChem (CID 101341540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).