3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid

C15H28O3Si — CID 70399955

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-11-13(14(16)17)12-9-7-6-8-10-12/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYGWAPIOPVOAXLI-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.56
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid (PubChem CID 70399955) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid
PubChem CID70399955
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-11-13(14(16)17)12-9-7-6-8-10-12/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYGWAPIOPVOAXLI-UHFFFAOYSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid (CID 70399955) is 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid is CC(C)(C)[Si](C)(C)OC=C(C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid?
The InChIKey is YGWAPIOPVOAXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-11-13(14(16)17)12-9-7-6-8-10-12/h11-12H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid has a molecular weight of 284.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid is sourced from PubChem (CID 70399955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).