tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C16H27NO4 — CID 143612548

IUPACtert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=C[C@H]1CC2(CC(CC)N1C(=O)OC(C)(C)C)OCCO2
InChIInChI=1S/C16H27NO4/c1-6-12-10-16(19-8-9-20-16)11-13(7-2)17(12)14(18)21-15(3,4)5/h6,12-13H,1,7-11H2,2-5H3/t12-,13?/m0/s1
InChIKeyDEEOBBWOUUTCSR-UEWDXFNNSA-N
MW297.39 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 143612548) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID143612548
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nametert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=C[C@H]1CC2(CC(CC)N1C(=O)OC(C)(C)C)OCCO2
InChIInChI=1S/C16H27NO4/c1-6-12-10-16(19-8-9-20-16)11-13(7-2)17(12)14(18)21-15(3,4)5/h6,12-13H,1,7-11H2,2-5H3/t12-,13?/m0/s1
InChIKeyDEEOBBWOUUTCSR-UEWDXFNNSA-N
XLogP3.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 143612548) is tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is C=C[C@H]1CC2(CC(CC)N1C(=O)OC(C)(C)C)OCCO2.
What is the InChIKey of tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is DEEOBBWOUUTCSR-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H27NO4/c1-6-12-10-16(19-8-9-20-16)11-13(7-2)17(12)14(18)21-15(3,4)5/h6,12-13H,1,7-11H2,2-5H3/t12-,13?/m0/s1.
What are the key properties of tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7R)-7-ethenyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 143612548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).