ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

C15H26O4Si — CID 10924516

IUPACethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
SMILESCCOC(=O)C1=CC[C@H]2O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O4Si/c1-7-17-14(16)10-8-9-11-13(18-11)12(10)19-20(5,6)15(2,3)4/h8,11-13H,7,9H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyWDMFBDWWOVDWEX-JHJVBQTASA-N
MW298.46 g/mol
LogP3.04
Rot. Bonds4

About ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate (PubChem CID 10924516) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
PubChem CID10924516
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Nameethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
SMILESCCOC(=O)C1=CC[C@H]2O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O4Si/c1-7-17-14(16)10-8-9-11-13(18-11)12(10)19-20(5,6)15(2,3)4/h8,11-13H,7,9H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyWDMFBDWWOVDWEX-JHJVBQTASA-N
XLogP3.04
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate with MolForge

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Related Compounds

ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 10131259
Methyl (3R,4S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate
CID 139085651
methyl (3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 10903993
methyl (3aR,5aR,6aR,6bR)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole-5-carboxylate
CID 14414086
methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methoxycyclohexene-1-carboxylate
CID 16756814
4,5-Dihydroxy-7-oxa-bicyclo[4.1.0]hept-2-ene-3-carboxylic acid methyl ester
CID 101168089
methyl (1S,2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 146169282
methyl (1R,4R,5S,6R)-4-(3-methoxy-3-oxoprop-1-en-2-yl)oxy-5-(2-oxopropanoyloxy)-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylate
CID 10359882
methyl (3S,4R,5R,6S)-3,4,5,6-tetraacetyloxycyclohexene-1-carboxylate
CID 11440178
methyl (3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
CID 13990583
Dvgfkccktasrie-mgpqqgthsa-
CID 21724844
methyl (3aR,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 10521276

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate?
The IUPAC name of ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate (CID 10924516) is ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate.
What is the SMILES notation for ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate?
The canonical SMILES for ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate is CCOC(=O)C1=CC[C@H]2O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate?
The InChIKey is WDMFBDWWOVDWEX-JHJVBQTASA-N. The full InChI is InChI=1S/C15H26O4Si/c1-7-17-14(16)10-8-9-11-13(18-11)12(10)19-20(5,6)15(2,3)4/h8,11-13H,7,9H2,1-6H3/t11-,12-,13-/m1/s1.
What are the key properties of ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate?
ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate has a molecular weight of 298.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate is sourced from PubChem (CID 10924516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).