ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate

C17H34O4Si — CID 10336779

IUPACethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1(O)CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-20-15(18)11-17(19)10-9-13(2)14(17)12-21-22(6,7)16(3,4)5/h13-14,19H,8-12H2,1-7H3/t13-,14+,17?/m0/s1
InChIKeyXGDPOIQYYGFWMR-RFOFMGPBSA-N
MW330.54 g/mol
LogP3.74
Rot. Bonds6

About ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate

ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate (PubChem CID 10336779) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
PubChem CID10336779
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nameethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1(O)CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-20-15(18)11-17(19)10-9-13(2)14(17)12-21-22(6,7)16(3,4)5/h13-14,19H,8-12H2,1-7H3/t13-,14+,17?/m0/s1
InChIKeyXGDPOIQYYGFWMR-RFOFMGPBSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3aS,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-pentalene-1-carboxylate
CID 12816911
(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
CID 135009534
methyl 7-[(2S,3R,5S)-5-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentyl]heptanoate
CID 58696577
methyl 7-[(1R,2S,3R,5S)-5-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentyl]heptanoate
CID 58749569
methyl 7-[(2S,3S,5S)-5-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentyl]heptanoate
CID 67518871
methyl 7-[(1R,2S,3S,5S)-5-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentyl]heptanoate
CID 68010787
methyl 7-[(1S,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68011623
methyl 7-[(1S,2S,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68643469
methyl 7-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68643471
methyl 7-[(1R,2S,5S)-5-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentyl]heptanoate
CID 71068946
ethyl (1S,3aS,4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-pentalene-1-carboxylate
CID 90441702
Tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate
CID 123949510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate (CID 10336779) is ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate is CCOC(=O)CC1(O)CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
The InChIKey is XGDPOIQYYGFWMR-RFOFMGPBSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-20-15(18)11-17(19)10-9-13(2)14(17)12-21-22(6,7)16(3,4)5/h13-14,19H,8-12H2,1-7H3/t13-,14+,17?/m0/s1.
What are the key properties of ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate has a molecular weight of 330.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate is sourced from PubChem (CID 10336779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).