- Product Details
Keywords
- Cyclohexanedodecol
- 54890-03-8
- 98%
Quick Details
- ProName: Cyclohexanedodecol(CAS No. 54890-03-8)
- CasNo: 54890-03-8
- Molecular Formula: C6H12O12
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: According to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 10 Kilogram/Month
- Purity: 99%
- Storage: Room temperature
- Transportation: as requested
- LimitNum: 1 Gram
Superiority
Details
【Name】
Cyclohexanedodecol
【Iupac name】
cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol
【CAS Registry number】
54890-03-8
【Synonyms】
Cyclohexanedodecol
【Molecular Formula】
C6H12O12 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C6H12O12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12/h7-18H
【Canonical SMILES】
C1(C(C(C(C(C1(O)O)(O)O)(O)O)(O)O)(O)O)(O)O
【MOL File】
54890-03-8.mol
Chemical and Physical Properties
【Density】
4.535g/cm3
【Boiling Point】
137.4°C at 760 mmHg
【Refractive Index】
3.229
【Flash Point】
32°C
【Computed Properties】
Molecular Weight:276.15228 [g/mol]
Molecular Formula:C6H12O12
XLogP3-AA:-8.3
H-Bond Donor:12
H-Bond Acceptor:12
Rotatable Bond Count:0
Exact Mass:276.032876
MonoIsotopic Mass:276.032876
Topological Polar Surface Area:243
Heavy Atom Count:18
Formal Charge:0
Complexity:248
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:12
Feature 3D Donor Count:12
Feature 3D Ring Count:1
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1