HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-

HCID 298065
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
55255-73-7
Standard SMILES
CC(CC=C(CCC(C)CC(C)(C)C)CCC(C)CC(C)(C)C)CC(C)(C)C
InChIKey
NWNPVUYOZGIYLE-UHFFFAOYSA-N
Molecular formula
C28H56
Average molar mass
392.7 g/mol
Monoisotopic mass
392.43820179

Names & identifiers

Preferred name
6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-
IUPAC
2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)tridec-6-ene
English name
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)-6-tridecene
Molecular formula
C28H56
Molecular weight
392.74

Names & synonyms

55255-73-76-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)-6-tridecene2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)tridec-6-eneNSC169761DTXSID00305209NWNPVUYOZGIYLE-UHFFFAOYSA-NNSC-1697612,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)-6-tridecene6-Tridecene,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-

Database identifiers

CAS
55255-73-7
PubChem CID
298065
DTXSID
DTXSID00305209
Nikkaji
J145.390D

Properties

Computed structural properties

XLogP
12.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
14
Heavy atoms
28
Formal charge
0
Complexity
404

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
37.5 °C · 37.5°C (estimate)
Boiling point
427.39 °C · 427.39°C (estimate)
Density
0.8077 · 0.8077 (estimate)
refractive index
1.4527 · 1.4527 (estimate)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

7-Tridecanol, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-1-Hexanol, 3,5,5-trimethyl-, (-)-

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes