2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid

C12H18O3Si — CID 173299731

IUPAC2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid
SMILESC[SiH](C)C(C)(C(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C12H18O3Si/c1-12(11(14)15,16(2)3)10-6-4-9(8-13)5-7-10/h4-7,13,16H,8H2,1-3H3,(H,14,15)
InChIKeyVDKCWQVWOBEQIB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds4

About 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid

2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid (PubChem CID 173299731) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid
PubChem CID173299731
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid
SMILESC[SiH](C)C(C)(C(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C12H18O3Si/c1-12(11(14)15,16(2)3)10-6-4-9(8-13)5-7-10/h4-7,13,16H,8H2,1-3H3,(H,14,15)
InChIKeyVDKCWQVWOBEQIB-UHFFFAOYSA-N
XLogP1.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid (CID 173299731) is 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid is C[SiH](C)C(C)(C(=O)O)c1ccc(CO)cc1.
What is the InChIKey of 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid?
The InChIKey is VDKCWQVWOBEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-12(11(14)15,16(2)3)10-6-4-9(8-13)5-7-10/h4-7,13,16H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid?
2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid has a molecular weight of 238.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 173299731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).