ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate

C12H24O3Si — CID 11118281

IUPACethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCCO
InChIInChI=1S/C12H24O3Si/c1-5-15-12(14)11(8-6-7-9-13)10-16(2,3)4/h10,13H,5-9H2,1-4H3/b11-10+
InChIKeyVVYKEDHYPSGSTD-ZHACJKMWSA-N
MW244.41 g/mol
LogP2.52
Rot. Bonds7

About ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate

ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate (PubChem CID 11118281) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate.

Molecular Properties

Compound Nameethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate
PubChem CID11118281
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCCO
InChIInChI=1S/C12H24O3Si/c1-5-15-12(14)11(8-6-7-9-13)10-16(2,3)4/h10,13H,5-9H2,1-4H3/b11-10+
InChIKeyVVYKEDHYPSGSTD-ZHACJKMWSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate?
The IUPAC name of ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate (CID 11118281) is ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate.
What is the SMILES notation for ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate?
The canonical SMILES for ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate is CCOC(=O)/C(=C/[Si](C)(C)C)CCCCO.
What is the InChIKey of ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate?
The InChIKey is VVYKEDHYPSGSTD-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-15-12(14)11(8-6-7-9-13)10-16(2,3)4/h10,13H,5-9H2,1-4H3/b11-10+.
What are the key properties of ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate?
ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate has a molecular weight of 244.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate is sourced from PubChem (CID 11118281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).