6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid

C14H28O3Si — CID 132520568

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H28O3Si/c1-7-12(13(15)16)10-8-9-11-17-18(5,6)14(2,3)4/h7,12H,1,8-11H2,2-6H3,(H,15,16)
InChIKeyMDRORGCWKYAELM-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.07
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid

6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid (PubChem CID 132520568) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
PubChem CID132520568
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H28O3Si/c1-7-12(13(15)16)10-8-9-11-17-18(5,6)14(2,3)4/h7,12H,1,8-11H2,2-6H3,(H,15,16)
InChIKeyMDRORGCWKYAELM-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-ethenylhexanoic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid (CID 132520568) is 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid is C=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
The InChIKey is MDRORGCWKYAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-12(13(15)16)10-8-9-11-17-18(5,6)14(2,3)4/h7,12H,1,8-11H2,2-6H3,(H,15,16).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid has a molecular weight of 272.46 g/mol, XLogP of 4.07, 8 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-2-ethenylhexanoic acid is sourced from PubChem (CID 132520568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).