methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate

C25H34O4Si — CID 18652279

IUPACmethyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-18-20-16-21(26)15-19(20)17-24(27)28-4/h5-14,19-21,26H,15-18H2,1-4H3/t19-,20-,21-/m0/s1
InChIKeyGHYYLKQBXPJUJV-ACRUOGEOSA-N
MW426.63 g/mol
LogP3.51
Rot. Bonds7

About methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate

methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate (PubChem CID 18652279) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate
PubChem CID18652279
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Namemethyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-18-20-16-21(26)15-19(20)17-24(27)28-4/h5-14,19-21,26H,15-18H2,1-4H3/t19-,20-,21-/m0/s1
InChIKeyGHYYLKQBXPJUJV-ACRUOGEOSA-N
XLogP3.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate?
The IUPAC name of methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate (CID 18652279) is methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate is COC(=O)C[C@@H]1C[C@H](O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate?
The InChIKey is GHYYLKQBXPJUJV-ACRUOGEOSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-18-20-16-21(26)15-19(20)17-24(27)28-4/h5-14,19-21,26H,15-18H2,1-4H3/t19-,20-,21-/m0/s1.
What are the key properties of methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate?
methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate has a molecular weight of 426.63 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate is sourced from PubChem (CID 18652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).