ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate

C18H32O4Si — CID 132609632

IUPACethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
SMILESCCOC(=O)C1=C[C@H]2CCO[C@@]12O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H32O4Si/c1-8-20-17(19)16-11-15-9-10-21-18(15,16)22-23(12(2)3,13(4)5)14(6)7/h11-15H,8-10H2,1-7H3/t15-,18+/m1/s1
InChIKeyISGLDFGLUFYTFW-QAPCUYQASA-N
MW340.54 g/mol
LogP4.41
Rot. Bonds7

About ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate

ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate (PubChem CID 132609632) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
PubChem CID132609632
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Nameethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
SMILESCCOC(=O)C1=C[C@H]2CCO[C@@]12O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H32O4Si/c1-8-20-17(19)16-11-15-9-10-21-18(15,16)22-23(12(2)3,13(4)5)14(6)7/h11-15H,8-10H2,1-7H3/t15-,18+/m1/s1
InChIKeyISGLDFGLUFYTFW-QAPCUYQASA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The IUPAC name of ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate (CID 132609632) is ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate.
What is the SMILES notation for ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The canonical SMILES for ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate is CCOC(=O)C1=C[C@H]2CCO[C@@]12O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The InChIKey is ISGLDFGLUFYTFW-QAPCUYQASA-N. The full InChI is InChI=1S/C18H32O4Si/c1-8-20-17(19)16-11-15-9-10-21-18(15,16)22-23(12(2)3,13(4)5)14(6)7/h11-15H,8-10H2,1-7H3/t15-,18+/m1/s1.
What are the key properties of ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate has a molecular weight of 340.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R)-1-tri(propan-2-yl)silyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate is sourced from PubChem (CID 132609632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).