Cas no 178120-25-7 (1,2-Cyclohexanedioctanol, 4-hexyl-3-octyl-)
178120-25-7 structure
Product Name:1,2-Cyclohexanedioctanol, 4-hexyl-3-octyl-
CAS No:178120-25-7
MF:C36H72O2
MW:536.95569229126
CID:1366115
PubChem ID:22967523
Update Time:2025-04-20
1,2-Cyclohexanedioctanol, 4-hexyl-3-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedioctanol, 4-hexyl-3-octyl-
- 8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol
- SCHEMBL13253549
- 178120-25-7
- 8,8'-(4-Hexyl-3-octylcyclohexane-1,2-diyl)di(octan-1-ol)
- DTXSID00629250
-
- Inchi： 1S/C36H72O2/c1-3-5-7-9-15-21-27-35-33(25-19-8-6-4-2)29-30-34(26-20-14-10-12-17-23-31-37)36(35)28-22-16-11-13-18-24-32-38/h33-38H,3-32H2,1-2H3
- InChI Key： YUKZUIGFGORAME-UHFFFAOYSA-N
- SMILES： OCCCCCCCCC1C(CCCCCCCCO)CCC(CCCCCC)C1CCCCCCCC
Computed Properties
- Exact Mass: 536.55356
- Monoisotopic Mass: 536.55323154g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 38
- Rotatable Bond Count: 28
- Complexity: 464
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 15.2
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Cyclohexanedioctanol, 4-hexyl-3-octyl- Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
178120-25-7 (1,2-Cyclohexanedioctanol, 4-hexyl-3-octyl-) Related Products
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- 27458-93-1(Isostearylalcohol)
- 105-08-8(1,4-Cyclohexanedimethanol)
- 3236-48-4(trans-[4-(hydroxymethyl)cyclohexyl]methanol)
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- 6240-11-5(1-Adamantaneethanol)
- 5502-75-0(4-(propan-2-yl)cyclohexylmethanol)
- 100-49-2(Cyclohexanemethanol)
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