6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid

C13H26O3Si — CID 46188081

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)CCC(=O)O
InChIInChI=1S/C13H26O3Si/c1-11(7-8-12(14)15)9-10-16-17(5,6)13(2,3)4/h1,7-10H2,2-6H3,(H,14,15)
InChIKeyIKCULGDLMAIMEJ-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.82
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid

6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid (PubChem CID 46188081) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid
PubChem CID46188081
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)CCC(=O)O
InChIInChI=1S/C13H26O3Si/c1-11(7-8-12(14)15)9-10-16-17(5,6)13(2,3)4/h1,7-10H2,2-6H3,(H,14,15)
InChIKeyIKCULGDLMAIMEJ-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.82
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 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid (CID 46188081) is 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid is C=C(CCO[Si](C)(C)C(C)(C)C)CCC(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid?
The InChIKey is IKCULGDLMAIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(7-8-12(14)15)9-10-16-17(5,6)13(2,3)4/h1,7-10H2,2-6H3,(H,14,15).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid?
6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid has a molecular weight of 258.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid is sourced from PubChem (CID 46188081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).