methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate

C16H30O3Si — CID 102010141

IUPACmethyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate
SMILESCC[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=C(C(=O)OC)C1
InChIInChI=1S/C16H30O3Si/c1-8-12-9-13(14(10-12)15(17)18-5)11-19-20(6,7)16(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyLEWOJNAOMVYZMS-GFCCVEGCSA-N
MW298.50 g/mol
LogP4.30
Rot. Bonds5

About methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate

methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate (PubChem CID 102010141) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate
PubChem CID102010141
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Namemethyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate
SMILESCC[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=C(C(=O)OC)C1
InChIInChI=1S/C16H30O3Si/c1-8-12-9-13(14(10-12)15(17)18-5)11-19-20(6,7)16(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyLEWOJNAOMVYZMS-GFCCVEGCSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.30
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

methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate
CID 156745095
methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-5-methylcyclohexene-1-carboxylate
CID 162372938
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 90458282
methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 68931973
methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
CID 67983384
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate
CID 140804609
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
CID 10935487
methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
CID 165005191

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate?
The IUPAC name of methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate (CID 102010141) is methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate is CC[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=C(C(=O)OC)C1.
What is the InChIKey of methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate?
The InChIKey is LEWOJNAOMVYZMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-8-12-9-13(14(10-12)15(17)18-5)11-19-20(6,7)16(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate?
methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate has a molecular weight of 298.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate is sourced from PubChem (CID 102010141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).