Octadecylsuccinicanhydride

CAT: 0127-OR1023505-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1023505-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

47458-32-2

Synonyms

3-octadecyloxolane-2,5-dione

Purity

95%

Smiles

CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O

Chemical Information

2,5-Furandione, dihydro-3-octadecyl-

CAS Number	47458-32-2
PubChem CID	96562
IUPAC Name	3-octadecyloxolane-2,5-dione
Molecular Formula	C22H40O3
Molecular Weight	352.6
XLogP	9.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	25
Formal Charge	0
Complexity	351

SMILES

CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O

InChI

InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h20H,2-19H2,1H3

InChIKey

ZJFCVUTYZHUNSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 47458-32-2

CID: 96562

Formula: C22H40O3

MW: 352.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.6
XLogP3	9.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	352.29774513
Monoisotopic Mass	352.29774513
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes