(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid

C19H24O4Si — CID 173241831

IUPAC(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid
SMILESCC(C)(c1ccc(OCc2ccccc2)cc1)[C@](C)(O[SiH3])C(=O)O
InChIInChI=1S/C19H24O4Si/c1-18(2,19(3,23-24)17(20)21)15-9-11-16(12-10-15)22-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3,24H3,(H,20,21)/t19-/m1/s1
InChIKeyYHUBCJSBGJDDQA-LJQANCHMSA-N
MW344.48 g/mol
LogP2.68
Rot. Bonds7

About (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid

(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid (PubChem CID 173241831) has the molecular formula C19H24O4Si and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid
PubChem CID173241831
Molecular FormulaC19H24O4Si
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid
SMILESCC(C)(c1ccc(OCc2ccccc2)cc1)[C@](C)(O[SiH3])C(=O)O
InChIInChI=1S/C19H24O4Si/c1-18(2,19(3,23-24)17(20)21)15-9-11-16(12-10-15)22-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3,24H3,(H,20,21)/t19-/m1/s1
InChIKeyYHUBCJSBGJDDQA-LJQANCHMSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
2-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
N-methoxy-N,2-dimethyl-2-(4-phenylmethoxyphenyl)propanamide
CID 134113096
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid?
The IUPAC name of (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid (CID 173241831) is (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid.
What is the SMILES notation for (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid?
The canonical SMILES for (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid is CC(C)(c1ccc(OCc2ccccc2)cc1)[C@](C)(O[SiH3])C(=O)O.
What is the InChIKey of (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid?
The InChIKey is YHUBCJSBGJDDQA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24O4Si/c1-18(2,19(3,23-24)17(20)21)15-9-11-16(12-10-15)22-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3,24H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid?
(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid has a molecular weight of 344.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid is sourced from PubChem (CID 173241831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).