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

C17H34O3Si — CID 10470925

IUPACethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-19-16(18)11-14-10-9-13(2)15(14)12-20-21(6,7)17(3,4)5/h13-15H,8-12H2,1-7H3/t13-,14?,15+/m0/s1
InChIKeyZNUVGHSQXWWXQO-ZHDDOTHNSA-N
MW314.54 g/mol
LogP4.62
Rot. Bonds6

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

ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate (PubChem CID 10470925) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate
PubChem CID10470925
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-19-16(18)11-14-10-9-13(2)15(14)12-20-21(6,7)17(3,4)5/h13-15H,8-12H2,1-7H3/t13-,14?,15+/m0/s1
InChIKeyZNUVGHSQXWWXQO-ZHDDOTHNSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate
CID 14270549
methyl 2-[(4aS,7S,7aS)-3,3,7,7a-tetramethyl-4,4a,5,6-tetrahydro-1H-cyclopenta[d]oxasilin-7-yl]acetate
CID 21604753
Methyl 7-[2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-oxocyclopentyl]heptanoate
CID 53941881
propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate
CID 57320081
Ethyl 4-(tert-butyldimethylsilyloxy)-2-ethylcyclopentanecarboxylate
CID 58557197
methyl 7-[(2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58696583
methyl 7-[(1R,2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58749584
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
CID 59619347
methyl 7-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclopentyl]heptanoate
CID 70658850
ethyl (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
CID 70790466
Tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]methyl]-4-formylcyclopentyl]acetate
CID 90746087
methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate
CID 121340011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate (CID 10470925) is ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate is CCOC(=O)CC1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate?
The InChIKey is ZNUVGHSQXWWXQO-ZHDDOTHNSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-19-16(18)11-14-10-9-13(2)15(14)12-20-21(6,7)17(3,4)5/h13-15H,8-12H2,1-7H3/t13-,14?,15+/m0/s1.
What are the key properties of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate?
ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate has a molecular weight of 314.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]acetate is sourced from PubChem (CID 10470925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).