methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate

C17H34O4Si — CID 56593895

IUPACmethyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate
SMILESCOC(=O)C[C@@]1(C)CC[C@H](O)[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-15(2,3)22(7,8)21-12-17(5)13(18)9-10-16(17,4)11-14(19)20-6/h13,18H,9-12H2,1-8H3/t13-,16+,17+/m0/s1
InChIKeyMACVWKHOOQMAIQ-IAOVAPTHSA-N
MW330.54 g/mol
LogP3.74
Rot. Bonds5

About methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate

methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate (PubChem CID 56593895) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate
PubChem CID56593895
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namemethyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate
SMILESCOC(=O)C[C@@]1(C)CC[C@H](O)[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-15(2,3)22(7,8)21-12-17(5)13(18)9-10-16(17,4)11-14(19)20-6/h13,18H,9-12H2,1-8H3/t13-,16+,17+/m0/s1
InChIKeyMACVWKHOOQMAIQ-IAOVAPTHSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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'}

Analyze methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate with MolForge

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Related Compounds

methyl 6-[(1S,2S,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopentyl]hexanoate
CID 164667811
Methyl 7-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-[2-(oxiran-2-yl)ethyl]cyclopentyl]heptanoate
CID 9867273
methyl 7-[(1R,2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-[2-(oxiran-2-yl)ethyl]cyclopentyl]heptanoate
CID 11796817
2-[(1R,2R,3R,5S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636552
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636557
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636558
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636559
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636561
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636562
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636568
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636569
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate (CID 56593895) is methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate is COC(=O)C[C@@]1(C)CC[C@H](O)[C@@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate?
The InChIKey is MACVWKHOOQMAIQ-IAOVAPTHSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-15(2,3)22(7,8)21-12-17(5)13(18)9-10-16(17,4)11-14(19)20-6/h13,18H,9-12H2,1-8H3/t13-,16+,17+/m0/s1.
What are the key properties of methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate?
methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate has a molecular weight of 330.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1,2-dimethylcyclopentyl]acetate is sourced from PubChem (CID 56593895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).