-
2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-zincaspiro[5.5]undeca-1,4,7,10-tetraene-6,6-bis(ylium)-3,9-diide
-
ChemBase ID:
111569
-
Molecular Formular:
C10H14O4Zn
-
Molecular Mass:
263.59576
-
Monoisotopic Mass:
262.01835093
-
SMILES and InChIs
SMILES:
CC1=[O][Zn+2]2([O]=C(C)[CH-]1)[O]=C(C)[CH-]C(=[O]2)C
Canonical SMILES:
CC1=[O][Zn+2]2([O]=C([CH-]1)C)[O]=C(C)[CH-]C(=[O]2)C
InChI:
InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
InChIKey:
NHXVNEDMKGDNPR-UHFFFAOYSA-N
-
Cite this record
CBID:111569 http://www.chembase.cn/molecule-111569.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-zincaspiro[5.5]undeca-1,4,7,10-tetraene-6,6-bis(ylium)-3,9-diide
|
|
|
IUPAC Traditional name
|
2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-zincaspiro[5.5]undeca-1,4,7,10-tetraene-6,6-bis(ylium)-3,9-diide
|
|
|
Synonyms
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
0
|
H Donor
|
0
|
Molar Refractivity
|
96.4072 cm3
|
Polar Surface Area
|
136.56 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
false
|
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent