ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate

C16H30O3Si — CID 156738490

IUPACethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate
SMILESCCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-7-18-15(17)12-13-9-8-10-14(11-13)19-20(5,6)16(2,3)4/h12,14H,7-11H2,1-6H3
InChIKeyCPODAKIMBUMTHW-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.44
Rot. Bonds4

About ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate

ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate (PubChem CID 156738490) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate
PubChem CID156738490
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate
SMILESCCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-7-18-15(17)12-13-9-8-10-14(11-13)19-20(5,6)16(2,3)4/h12,14H,7-11H2,1-6H3
InChIKeyCPODAKIMBUMTHW-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate?
The IUPAC name of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate (CID 156738490) is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate.
What is the SMILES notation for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate?
The canonical SMILES for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate is CCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate?
The InChIKey is CPODAKIMBUMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-18-15(17)12-13-9-8-10-14(11-13)19-20(5,6)16(2,3)4/h12,14H,7-11H2,1-6H3.
What are the key properties of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate?
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate has a molecular weight of 298.50 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetate is sourced from PubChem (CID 156738490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).