2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid

C18H30O5Si — CID 19350803

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
SMILESCC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)OCC(=O)O
InChIInChI=1S/C18H30O5Si/c1-18(2,3)24(4,5)23-13-16(22-14-17(19)20)12-21-11-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,19,20)
InChIKeyOSDHZUMHSBCBDW-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.69
Rot. Bonds10

About 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid

2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid (PubChem CID 19350803) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
PubChem CID19350803
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
SMILESCC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)OCC(=O)O
InChIInChI=1S/C18H30O5Si/c1-18(2,3)24(4,5)23-13-16(22-14-17(19)20)12-21-11-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,19,20)
InChIKeyOSDHZUMHSBCBDW-UHFFFAOYSA-N
XLogP3.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.69
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

4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
methyl (E)-3-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]oxyprop-2-enoate
CID 10894529
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
methyl (4S,5S)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14559197
tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
CID 42644288
magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
CID 11144701
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896

Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid (CID 19350803) is 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid is CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)OCC(=O)O.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid?
The InChIKey is OSDHZUMHSBCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-18(2,3)24(4,5)23-13-16(22-14-17(19)20)12-21-11-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,19,20).
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid?
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid has a molecular weight of 354.52 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid is sourced from PubChem (CID 19350803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).