Vitamin K1 Impurity 28

CAT: 1596-AR-V06831-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06831-01Size:10 Units

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CAS Number

854039-21-7

Molecular Formula

C20H40O

Molecular Weight

296.54

API Name

Vitamin k1

Chemical Information

Npc38751

3,7,11,15-tetramethylhexadec-2-en-1-ol has been reported in Excoecaria acerifolia, Artemisia carvifolia, and other organisms with data available.

CAS Number	854039-21-7
PubChem CID	5320547
IUPAC Name	(Z)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Molecular Formula	C20H40O
Molecular Weight	296.5
XLogP	8.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Heavy Atom Count	21
Formal Charge	0
Complexity	255

SMILES

CC(C)CCCC(C)CCCC(C)CCC/C(=C\CO)/C

InChI

InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15-

InChIKey

BOTWFXYSPFMFNR-HKWRFOASSA-N

Chemical Structure

2D Structure

CAS: 854039-21-7

CID: 5320547

Formula: C20H40O

MW: 296.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.5
XLogP3	8.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	296.307915895
Monoisotopic Mass	296.307915895
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-V307777-01	Vitamin K1 Impurity 77; Vitamin K1 Impurity G
HY-76871-01	Vitamin impurity 4
RM-V308650-01	Vitamin A Impurity 50
RM-V308649-01	Vitamin A Impurity 49
RM-V307946-01	Vitamin A Impurity 46
RM-V308661-01	Vitamin A Impurity 61
RM-V308660-01	Vitamin A Impurity 60
RM-V308659-01	Vitamin A Impurity 59
RM-V308658-01	Vitamin A Impurity 58
RM-V308656-01	Vitamin A Impurity 56