ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate

C15H30O4Si — CID 134922681

IUPACethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate
SMILESCCOC(=O)/C(=C\O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-18-14(17)13(12-16)10-8-9-11-19-20(5,6)15(2,3)4/h12,16H,7-11H2,1-6H3/b13-12-
InChIKeyJZSLMJNRSATALO-SEYXRHQNSA-N
MW302.49 g/mol
LogP4.18
Rot. Bonds8

About ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate

ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate (PubChem CID 134922681) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate.

Molecular Properties

Compound Nameethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate
PubChem CID134922681
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate
SMILESCCOC(=O)/C(=C\O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-18-14(17)13(12-16)10-8-9-11-19-20(5,6)15(2,3)4/h12,16H,7-11H2,1-6H3/b13-12-
InChIKeyJZSLMJNRSATALO-SEYXRHQNSA-N
XLogP4.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate?
The IUPAC name of ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate (CID 134922681) is ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate.
What is the SMILES notation for ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate?
The canonical SMILES for ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate is CCOC(=O)/C(=C\O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate?
The InChIKey is JZSLMJNRSATALO-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-18-14(17)13(12-16)10-8-9-11-19-20(5,6)15(2,3)4/h12,16H,7-11H2,1-6H3/b13-12-.
What are the key properties of ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate?
ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate has a molecular weight of 302.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate is sourced from PubChem (CID 134922681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).