4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid

C9H18O3Si — CID 173362247

IUPAC4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid
SMILESCC(C(=O)O)=C(C(C)O)[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6(9(11)12)8(7(2)10)13(3,4)5/h7,10H,1-5H3,(H,11,12)
InChIKeyHGKJQVZDPSJLCB-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.65
Rot. Bonds3

About 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid

4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid (PubChem CID 173362247) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid
PubChem CID173362247
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid
SMILESCC(C(=O)O)=C(C(C)O)[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6(9(11)12)8(7(2)10)13(3,4)5/h7,10H,1-5H3,(H,11,12)
InChIKeyHGKJQVZDPSJLCB-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid?
The IUPAC name of 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid (CID 173362247) is 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid is CC(C(=O)O)=C(C(C)O)[Si](C)(C)C.
What is the InChIKey of 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid?
The InChIKey is HGKJQVZDPSJLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6(9(11)12)8(7(2)10)13(3,4)5/h7,10H,1-5H3,(H,11,12).
What are the key properties of 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid?
4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid has a molecular weight of 202.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-trimethylsilylpent-2-enoic acid is sourced from PubChem (CID 173362247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).