CHEBI:36551 - tetra-tert-butyltetrahedrane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tetra-tert-butyltetrahedrane
ChEBI ID CHEBI:36551
ChEBI ASCII Name tetra-tert-butyltetrahedrane
Definition A polycyclic alkane that is tetrahedrane in which each of the hydrogens is substituted by a tert-butyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H36
Net Charge 0
Average Mass 276.49984
Monoisotopic Mass 276.28170
InChI InChI=1S/C20H36/c1-13(2,3)17-18(14(4,5)6)19(17,15(7,8)9)20(17,18)16(10,11)12/h1-12H3
InChIKey XMHGFBLEMNQVKR-UHFFFAOYSA-N
SMILES CC(C)(C)C12C3(C(C)(C)C)C1(C(C)(C)C)C23C(C)(C)C
ChEBI Ontology
Outgoing tetra-tert-butyltetrahedrane (CHEBI:36551) has parent hydride tetrahedrane (CHEBI:36549)
tetra-tert-butyltetrahedrane (CHEBI:36551) is a polycyclic alkane (CHEBI:35713)
IUPAC Name
1,2,3,4-tetra-tert-butyltricyclo[1.1.0.02,4]butane
Synonyms Sources
tetra-tert-butyltetrahedrane NIST Chemistry WebBook
tetrakis(1,1-dimethylethyl)tricyclo[1.1.0.02,4]butane NIST Chemistry WebBook
tetrakis(t-butyl)tricyclo[1.1.0.02,4]butane NIST Chemistry WebBook
Registry Numbers Types Sources
1934041 Reaxys Registry Number Reaxys
1934041 Beilstein Registry Number Beilstein
66809-06-1 CAS Registry Number NIST Chemistry WebBook
66809-06-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11271519 PubMed citation Europe PMC
Last Modified
27 July 2011