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Hexaprenylhydroquinone

CAT: 0024-sc-202648Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202648Size:1 mg
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CAS Number
119980-00-6

Chemical Information

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]benzene-1,4-diol

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]benzene-1,4-diol has been reported in Sarcotragus spinosulus with data available.

CAS Number119980-00-6
PubChem CID5353837
IUPAC Name2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]benzene-1,4-diol
Molecular FormulaC36H54O2
Molecular Weight518.8
XLogP12.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity845
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C36H54O2/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37)25-26-36(34)38/h13,15,17,19,21,23,25-27,37-38H,8-12,14,16,18,20,22,24H2,1-7H3/b29-15+,30-17+,31-19+,32-21+,33-23+
InChIKey
GYXOFGKCNHUEPR-LAAQXVIISA-N
Chemical Structure
2D Structure
2D structure of 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]benzene-1,4-diol
CAS: 119980-00-6
CID: 5353837
Formula: C36H54O2
MW: 518.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.8
XLogP312.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass518.412380961
Monoisotopic Mass518.412380961
Topological Polar Surface Area40.5 Ų
Heavy Atom Count38
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
451893-01Hexaprenylhydroquinone discontinued

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