ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate

C18H34O3Si — CID 22319904

IUPACethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate
SMILESCCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H34O3Si/c1-7-20-17(19)14-15-10-8-12-16(13-9-11-15)21-22(5,6)18(2,3)4/h14,16H,7-13H2,1-6H3/b15-14-
InChIKeyINVHJQYKZWHBCC-PFONDFGASA-N
MW326.55 g/mol
LogP5.22
Rot. Bonds4

About ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate

ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate (PubChem CID 22319904) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate
PubChem CID22319904
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate
SMILESCCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H34O3Si/c1-7-20-17(19)14-15-10-8-12-16(13-9-11-15)21-22(5,6)18(2,3)4/h14,16H,7-13H2,1-6H3/b15-14-
InChIKeyINVHJQYKZWHBCC-PFONDFGASA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.22
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-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate?
The IUPAC name of ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate (CID 22319904) is ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate.
What is the SMILES notation for ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate?
The canonical SMILES for ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate is CCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate?
The InChIKey is INVHJQYKZWHBCC-PFONDFGASA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-20-17(19)14-15-10-8-12-16(13-9-11-15)21-22(5,6)18(2,3)4/h14,16H,7-13H2,1-6H3/b15-14-.
What are the key properties of ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate?
ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate has a molecular weight of 326.55 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate is sourced from PubChem (CID 22319904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).