ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate

C16H30O4Si — CID 138984028

IUPACethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CCCC(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O4Si/c1-7-18-15(17)11-13-9-8-10-14(20-13)12-19-21(5,6)16(2,3)4/h11,14H,7-10,12H2,1-6H3/b13-11+
InChIKeyXFXSNIFXWMOMGP-ACCUITESSA-N
MW314.50 g/mol
LogP4.02
Rot. Bonds5

About ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate

ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate (PubChem CID 138984028) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate
PubChem CID138984028
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nameethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CCCC(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O4Si/c1-7-18-15(17)11-13-9-8-10-14(20-13)12-19-21(5,6)16(2,3)4/h11,14H,7-10,12H2,1-6H3/b13-11+
InChIKeyXFXSNIFXWMOMGP-ACCUITESSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate (CID 138984028) is ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate is CCOC(=O)/C=C1\CCCC(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate?
The InChIKey is XFXSNIFXWMOMGP-ACCUITESSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-7-18-15(17)11-13-9-8-10-14(20-13)12-19-21(5,6)16(2,3)4/h11,14H,7-10,12H2,1-6H3/b13-11+.
What are the key properties of ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate?
ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate has a molecular weight of 314.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate is sourced from PubChem (CID 138984028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).