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

C17H32O4Si — CID 10520350

IUPACethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\C[C@H](O)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-20-16(19)10-13-9-15(18)12(2)14(13)11-21-22(6,7)17(3,4)5/h10,12,14-15,18H,8-9,11H2,1-7H3/b13-10+/t12-,14-,15+/m1/s1
InChIKeyUGOONEICENHICF-UJJYMJCGSA-N
MW328.53 g/mol
LogP3.51
Rot. Bonds5

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

ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate (PubChem CID 10520350) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate
PubChem CID10520350
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\C[C@H](O)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-20-16(19)10-13-9-15(18)12(2)14(13)11-21-22(6,7)17(3,4)5/h10,12,14-15,18H,8-9,11H2,1-7H3/b13-10+/t12-,14-,15+/m1/s1
InChIKeyUGOONEICENHICF-UJJYMJCGSA-N
XLogP3.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
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-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate (CID 10520350) is ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate is CCOC(=O)/C=C1\C[C@H](O)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate?
The InChIKey is UGOONEICENHICF-UJJYMJCGSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-20-16(19)10-13-9-15(18)12(2)14(13)11-21-22(6,7)17(3,4)5/h10,12,14-15,18H,8-9,11H2,1-7H3/b13-10+/t12-,14-,15+/m1/s1.
What are the key properties of ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate?
ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate has a molecular weight of 328.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methylcyclopentylidene]acetate is sourced from PubChem (CID 10520350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).