methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate

C17H34O3Si — CID 11809210

IUPACmethyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H](C(C)C)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C17H34O3Si/c1-8-21(9-2,10-3)20-15-11-14(12(4)5)16(13(15)6)17(18)19-7/h12-16H,8-11H2,1-7H3/t13-,14-,15+,16+/m0/s1
InChIKeyKJVQAJCUCWNZFK-CAOSSQGBSA-N
MW314.54 g/mol
LogP4.48
Rot. Bonds7

About methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate

methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate (PubChem CID 11809210) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate
PubChem CID11809210
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H](C(C)C)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C17H34O3Si/c1-8-21(9-2,10-3)20-15-11-14(12(4)5)16(13(15)6)17(18)19-7/h12-16H,8-11H2,1-7H3/t13-,14-,15+,16+/m0/s1
InChIKeyKJVQAJCUCWNZFK-CAOSSQGBSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 134840434
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-oxocyclopentane-1-carboxylate
CID 134905985
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-oxocyclopentane-1-carboxylate
CID 134906162
Prostan-1-oic acid, 7,9,13-tris[(trimethylsilyl)oxy]-, methyl ester, (9alpha)-
CID 599798
Methyl 3-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)propanoate
CID 620294
Methyl 8-(2-(3-methoxy-3-oxopropyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)-6-oxooctanoate
CID 620295
Cyclopentaneheptanoic acid, 3,5-dihydroxy-2-[(trimethylsiloxy)methyl]-, methyl ester, diacetate
CID 628211
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl 2-[(1R,2S,3S,5R)-2-propyl-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834150
methyl 2-[(1R,2R,3S,5R)-2-(7-methoxyheptyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834154
methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate
CID 10948058
hexahydro-5-[[(1,1-dimethylethyl)dimethylsilyl]-oxy]-4-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]octyl)-2H-cyclopenta[b]furan-2-one
CID 13753822

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate (CID 11809210) is methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate is CC[Si](CC)(CC)O[C@@H]1C[C@@H](C(C)C)[C@H](C(=O)OC)[C@H]1C.
What is the InChIKey of methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate?
The InChIKey is KJVQAJCUCWNZFK-CAOSSQGBSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-21(9-2,10-3)20-15-11-14(12(4)5)16(13(15)6)17(18)19-7/h12-16H,8-11H2,1-7H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate?
methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate has a molecular weight of 314.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,3R,5S)-2-methyl-5-propan-2-yl-3-triethylsilyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 11809210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).