ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate

C18H34O3Si — CID 15272337

IUPACethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate
SMILESCCOC(=O)/C=C1\CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-8-20-18(19)12-17-11-16(17)9-10-21-22(13(2)3,14(4)5)15(6)7/h12-16H,8-11H2,1-7H3/b17-12+
InChIKeyVYARCNVHFLSXMH-SFQUDFHCSA-N
MW326.55 g/mol
LogP5.08
Rot. Bonds9

About ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate

ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate (PubChem CID 15272337) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate
PubChem CID15272337
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate
SMILESCCOC(=O)/C=C1\CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-8-20-18(19)12-17-11-16(17)9-10-21-22(13(2)3,14(4)5)15(6)7/h12-16H,8-11H2,1-7H3/b17-12+
InChIKeyVYARCNVHFLSXMH-SFQUDFHCSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.08
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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Related Compounds

ethyl (2Z)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate;ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate
CID 146018991
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
ethyl (2E)-2-[(1S,6S)-7-bicyclo[4.2.0]octanylidene]acetate
CID 59077267
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate
CID 145148389
ethyl (2Z)-2-(5-ethyl-2-oxocyclohexylidene)acetate
CID 121000789
ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate
CID 13062610
ethyl (2E)-2-[(4S)-4-hydroxycyclopent-2-en-1-ylidene]acetate
CID 177404190
ethyl (2E)-2-[(2S,3R,6S,7R,9E,10S,11R,12R,14S,15R,17S)-9-(2-ethoxy-2-oxoethylidene)-13-oxaheptacyclo[8.6.1.02,6.03,15.07,17.011,16.012,14]heptadecan-4-ylidene]acetate
CID 98557867
ethyl (2E)-2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]acetate
CID 135132587

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate?
The IUPAC name of ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate (CID 15272337) is ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate is CCOC(=O)/C=C1\CC1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate?
The InChIKey is VYARCNVHFLSXMH-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-20-18(19)12-17-11-16(17)9-10-21-22(13(2)3,14(4)5)15(6)7/h12-16H,8-11H2,1-7H3/b17-12+.
What are the key properties of ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate?
ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate has a molecular weight of 326.55 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropylidene]acetate is sourced from PubChem (CID 15272337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).