ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate

C15H28O4Si — CID 135040457

IUPACethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C15H28O4Si/c1-8-18-13(16)15(17)10-12(9-11(15)2)19-20(6,7)14(3,4)5/h9,12,17H,8,10H2,1-7H3/t12-,15+/m0/s1
InChIKeyMFFBTEFXRMBYPT-SWLSCSKDSA-N
MW300.47 g/mol
LogP3.02
Rot. Bonds4

About ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate

ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate (PubChem CID 135040457) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate
PubChem CID135040457
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C15H28O4Si/c1-8-18-13(16)15(17)10-12(9-11(15)2)19-20(6,7)14(3,4)5/h9,12,17H,8,10H2,1-7H3/t12-,15+/m0/s1
InChIKeyMFFBTEFXRMBYPT-SWLSCSKDSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-3-hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-methyloxolan-2-one
CID 162921011
ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
CID 135017524
methyl (5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2-dihydroxycyclohex-3-ene-1-carboxylate
CID 10741419
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
CID 11358143
(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
CID 102350595
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(deuteriomethyl)-1-hydroxycyclohex-3-ene-1-carboxylic acid
CID 102350607
methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methylcyclohex-3-ene-1-carboxylate
CID 102399498
3-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-methyloxolan-2-one
CID 162921010

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate (CID 135040457) is ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate is CCOC(=O)[C@@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C.
What is the InChIKey of ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is MFFBTEFXRMBYPT-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-18-13(16)15(17)10-12(9-11(15)2)19-20(6,7)14(3,4)5/h9,12,17H,8,10H2,1-7H3/t12-,15+/m0/s1.
What are the key properties of ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate?
ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 135040457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).