ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate

C18H34O3Si — CID 67998513

IUPACethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\C[C@@H](CC)[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O3Si/c1-8-15-10-14(12-17(19)20-9-2)11-16(15)13-21-22(6,7)18(3,4)5/h12,15-16H,8-11,13H2,1-7H3/b14-12+/t15-,16-/m1/s1
InChIKeyIPVBZRADUGNVLC-XRZYUTHKSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds6

About ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate

ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate (PubChem CID 67998513) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
PubChem CID67998513
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\C[C@@H](CC)[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O3Si/c1-8-15-10-14(12-17(19)20-9-2)11-16(15)13-21-22(6,7)18(3,4)5/h12,15-16H,8-11,13H2,1-7H3/b14-12+/t15-,16-/m1/s1
InChIKeyIPVBZRADUGNVLC-XRZYUTHKSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
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 (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate (CID 67998513) is ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate is CCOC(=O)/C=C1\C[C@@H](CC)[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
The InChIKey is IPVBZRADUGNVLC-XRZYUTHKSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-15-10-14(12-17(19)20-9-2)11-16(15)13-21-22(6,7)18(3,4)5/h12,15-16H,8-11,13H2,1-7H3/b14-12+/t15-,16-/m1/s1.
What are the key properties of ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate has a molecular weight of 326.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate is sourced from PubChem (CID 67998513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).