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

C13H26O3Si — CID 51356794

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
SMILESCC(C)(/C=C/CO[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)/b9-8+
InChIKeyAVHNGNFNNSODJI-CMDGGOBGSA-N
MW258.43 g/mol
LogP3.68
Rot. Bonds5

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

(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid (PubChem CID 51356794) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
PubChem CID51356794
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
SMILESCC(C)(/C=C/CO[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)/b9-8+
InChIKeyAVHNGNFNNSODJI-CMDGGOBGSA-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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Related Compounds

(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoic acid
CID 88548056
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
CID 15921993
1-[Tri(propan-2-yl)silyloxymethyl]cyclohexa-2,5-diene-1-carboxylic acid
CID 102345563
(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 22456912
(E)-5-tri(propan-2-yl)silylpent-3-enoic acid
CID 44471945
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
CID 56612824
2-(Trimethylsilylmethyl)pent-3-enoic acid
CID 57204736
5-Trimethylsilylpent-3-enoic acid
CID 57302771
2-Methyl-5-triethylsilyloxypent-2-enoic acid
CID 57316614
2-[Tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 73886739
5-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
CID 75631498

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid (CID 51356794) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid is CC(C)(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
The InChIKey is AVHNGNFNNSODJI-CMDGGOBGSA-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)/b9-8+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid?
(E)-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 (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid is sourced from PubChem (CID 51356794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).