tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate

C15H25NO3 — CID 135008053

IUPACtert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=C2CCCCC2)O1
InChIInChI=1S/C15H25NO3/c1-15(2,3)18-14(17)16-10-9-13(19-16)11-12-7-5-4-6-8-12/h11,13H,4-10H2,1-3H3
InChIKeyMXJSDMAMXOZIAK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.82
Rot. Bonds1

About tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate

tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate (PubChem CID 135008053) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate
PubChem CID135008053
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=C2CCCCC2)O1
InChIInChI=1S/C15H25NO3/c1-15(2,3)18-14(17)16-10-9-13(19-16)11-12-7-5-4-6-8-12/h11,13H,4-10H2,1-3H3
InChIKeyMXJSDMAMXOZIAK-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate (CID 135008053) is tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1CCC(C=C2CCCCC2)O1.
What is the InChIKey of tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is MXJSDMAMXOZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)18-14(17)16-10-9-13(19-16)11-12-7-5-4-6-8-12/h11,13H,4-10H2,1-3H3.
What are the key properties of tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate?
tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 135008053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).