ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate

C16H28O3Si — CID 134958321

IUPACethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1C2C=CC(C2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-7-18-15(17)13-11-8-9-12(10-11)14(13)19-20(5,6)16(2,3)4/h8-9,11-14H,7,10H2,1-6H3/t11?,12?,13?,14-/m1/s1
InChIKeyXLSKMTCXQVVVOV-SLDMJWGPSA-N
MW296.48 g/mol
LogP3.76
Rot. Bonds4

About ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 134958321) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID134958321
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1C2C=CC(C2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-7-18-15(17)13-11-8-9-12(10-11)14(13)19-20(5,6)16(2,3)4/h8-9,11-14H,7,10H2,1-6H3/t11?,12?,13?,14-/m1/s1
InChIKeyXLSKMTCXQVVVOV-SLDMJWGPSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 134958321) is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate is CCOC(=O)C1C2C=CC(C2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is XLSKMTCXQVVVOV-SLDMJWGPSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-18-15(17)13-11-8-9-12(10-11)14(13)19-20(5,6)16(2,3)4/h8-9,11-14H,7,10H2,1-6H3/t11?,12?,13?,14-/m1/s1.
What are the key properties of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 296.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 134958321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).