Vitamin K1 Impurity 38

CAT: 1596-AR-V06837-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06837-01Size:10 Units

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CAS Number

3689-69-8

Molecular Formula

C18H34O

Molecular Weight

266.47

API Name

Vitamin k1

Chemical Information

Vitamin K1 Impurity 49

See also: 6,10,14-Trimethyl-5-Pentadecen-2-on (annotation moved to).

CAS Number	3689-69-8
PubChem CID	22630199
IUPAC Name	(E)-6,10,14-trimethylpentadec-5-en-2-one
Molecular Formula	C18H34O
Molecular Weight	266.5
XLogP	6.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Heavy Atom Count	19
Formal Charge	0
Complexity	263

SMILES

CC(C)CCCC(C)CCC/C(=C/CCC(=O)C)/C

InChI

InChI=1S/C18H34O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h13,15-16H,6-12,14H2,1-5H3/b17-13+

InChIKey

CKJHJTOHWZLGFY-GHRIWEEISA-N

Chemical Structure

2D Structure

CAS: 3689-69-8

CID: 22630199

Formula: C18H34O

MW: 266.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.5
XLogP3	6.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	266.260965704
Monoisotopic Mass	266.260965704
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	263
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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