- Product Details
Keywords
- 1,3-Dioxane,2-(9-decen-1-yl)-4-methyl-
- 5445-57-8
- 98%
Quick Details
- ProName: 1,3-Dioxane,2-(9-decen-1-yl)-4-methyl-...
- CasNo: 5445-57-8
- Molecular Formula: C15H28 O2
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: According to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: Room Temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
【Name】
1,3-Dioxane,2-(9-decen-1-yl)-4-methyl-
【CAS Registry number】
5445-57-8
【Synonyms】
1,3-Dioxane,2-(9-decenyl)-4-methyl- (9CI)
NSC 22101
【Molecular Formula】
C15H28 O2 (Products with the same molecular formula)
【Molecular Weight】
240.3816
【Inchi】
InChI=1/C15H28O2/c1-3-4-5-6-7-8-9-10-11-15-16-13-12-14(2)17-15/h3,14-15H,1,4-13H2,2H3
【Canonical SMILES】
CC1CCOC(O1)CCCCCCCCC=C
Chemical and Physical Properties
【Density】
0.879g/cm3
【Boiling Point】
279.1°Cat760mmHg
【Refractive Index】
1.443
【Flash Point】
111.6°C
【Computed Properties】
Molecular Weight:240.38162 [g/mol]
Molecular Formula:C15H28O2
XLogP3-AA:5.2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:9
Exact Mass:240.20893
MonoIsotopic Mass:240.20893
Topological Polar Surface Area:18.5
Heavy Atom Count:17
Formal Charge:0
Complexity:191
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:10.2
Conformer Sampling RMSD:1
CID Conformer Count:363