5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid

C13H26O3Si — CID 75631498

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
SMILESCC(C)(C=CCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H26O3Si/c1-12(2,3)17(6,7)16-10-8-9-13(4,5)11(14)15/h8-9H,10H2,1-7H3,(H,14,15)
InChIKeyAVHNGNFNNSODJI-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.68
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid

5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid (PubChem CID 75631498) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
PubChem CID75631498
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
SMILESCC(C)(C=CCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H26O3Si/c1-12(2,3)17(6,7)16-10-8-9-13(4,5)11(14)15/h8-9H,10H2,1-7H3,(H,14,15)
InChIKeyAVHNGNFNNSODJI-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid (CID 75631498) is 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid is CC(C)(C=CCO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
The InChIKey is AVHNGNFNNSODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2,3)17(6,7)16-10-8-9-13(4,5)11(14)15/h8-9H,10H2,1-7H3,(H,14,15).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid has a molecular weight of 258.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid is sourced from PubChem (CID 75631498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).