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Vitamin K1 Impurity 36

CAT: 1596-AR-V06835-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06835-01Size:10 Units
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CAS Number
1778736-16-5
Molecular Formula
C20H38
Molecular Weight
278.52
API Name
Vitamin k1

Chemical Information

Vitamin K1 Impurity 41
CAS Number1778736-16-5
PubChem CID11780870
IUPAC Name(3Z)-3,7,11,15-tetramethylhexadeca-1,3-diene
Molecular FormulaC20H38
Molecular Weight278.5
XLogP9.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity259
SMILES
CC(C)CCCC(C)CCCC(C)CC/C=C(/C)\C=C
InChI
InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,12,17,19-20H,1,8-11,13-16H2,2-6H3/b18-12-
InChIKey
HNTNJYMWJHGCBD-PDGQHHTCSA-N
Chemical Structure
2D Structure
2D structure of Vitamin K1 Impurity 41
CAS: 1778736-16-5
CID: 11780870
Formula: C20H38
MW: 278.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight278.5
XLogP39.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count12
Exact Mass278.297351212
Monoisotopic Mass278.297351212
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes