(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid

C13H18O3Si — CID 11242155

IUPAC(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid
SMILESC[Si](C)(C)/C=C(\C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H18O3Si/c1-17(2,3)9-11(13(15)16)12(14)10-7-5-4-6-8-10/h4-9,12,14H,1-3H3,(H,15,16)/b11-9-/t12-/m0/s1
InChIKeyQTQBNDHNRHCXNE-MMRAYRKESA-N
MW250.37 g/mol
LogP2.61
Rot. Bonds4

About (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid

(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid (PubChem CID 11242155) has the molecular formula C13H18O3Si and a molecular weight of 250.37 g/mol. Its IUPAC name is (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid
PubChem CID11242155
Molecular FormulaC13H18O3Si
Molecular Weight250.37 g/mol
Exact Mass250.10
IUPAC Name(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid
SMILESC[Si](C)(C)/C=C(\C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H18O3Si/c1-17(2,3)9-11(13(15)16)12(14)10-7-5-4-6-8-10/h4-9,12,14H,1-3H3,(H,15,16)/b11-9-/t12-/m0/s1
InChIKeyQTQBNDHNRHCXNE-MMRAYRKESA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
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

(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
(2R)-2-hydroxy-2-phenylacetyl bromide
CID 93494434

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid?
The IUPAC name of (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid (CID 11242155) is (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid?
The canonical SMILES for (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid is C[Si](C)(C)/C=C(\C(=O)O)[C@@H](O)c1ccccc1.
What is the InChIKey of (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid?
The InChIKey is QTQBNDHNRHCXNE-MMRAYRKESA-N. The full InChI is InChI=1S/C13H18O3Si/c1-17(2,3)9-11(13(15)16)12(14)10-7-5-4-6-8-10/h4-9,12,14H,1-3H3,(H,15,16)/b11-9-/t12-/m0/s1.
What are the key properties of (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid?
(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid has a molecular weight of 250.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid is sourced from PubChem (CID 11242155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).