Vitamin K1 Impurity 94

CAT: 1299-RM-V307794-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V307794-01Size:10 mg

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CAS Number

33185-23-8

Synonyms

3,7,11-trimethyldodec-1-en-3-ol

Molecular Formula

C15H30O

Molecular Weight

226.4

Target Alternative Name

Vitamin

Product Name Synonym

3,7,11-trimethyldodec-1-en-3-ol

Chemical Information

3,7,11-Trimethyldodec-1-en-3-ol

CAS Number	33185-23-8
PubChem CID	528824
IUPAC Name	3,7,11-trimethyldodec-1-en-3-ol
Molecular Formula	C15H30O
Molecular Weight	226.40
XLogP	5.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Heavy Atom Count	16
Formal Charge	0
Complexity	186

SMILES

CC(C)CCCC(C)CCCC(C)(C=C)O

InChI

InChI=1S/C15H30O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,13-14,16H,1,7-12H2,2-5H3

InChIKey

XLIJOVLDKFATNT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33185-23-8

CID: 528824

Formula: C15H30O

MW: 226.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.40
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	226.229665576
Monoisotopic Mass	226.229665576
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	186
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
Compound Is Canonicalized	Yes

Catalog	Name
RM-V307777-01	Vitamin K1 Impurity 77; Vitamin K1 Impurity G
RM-T031894-01	Vitamin E Impurity 94
RG-A262926-01	Vitamin B6 Impurity 94
RM-V307819-01	Vitamin K1 Impurity 119
RM-V317892-01	Vitamin K1 Impurity 202
RM-V317891-01	Vitamin K1 Impurity 201
RM-V317889-01	Vitamin K1 Impurity 199
RM-V317887-01	Vitamin K1 Impurity 197
RM-V317883-01	Vitamin K1 Impurity 193
RM-V307854-01	Vitamin K1 Impurity 149

Catalog	Name
AR-V01550-01	Vitamin A Impurity C (retro-Vitamin A)
HY-76871-01	Vitamin impurity 4
HY-Z1075	Vitamin impurity 2
468726	Vitamin D2 Impurity
GTR19280568-01	Vitamin impurity 3
AR-V01542-01	Vitamin B6 Impurity
AR-V06822-01	Vitamin K1 Impurity 14 (Vitamin K4)
AR-V07170-01	Vitamin D3 Impurity 15
AR-V06848-01	Vitamin K2 Impurity 10
AR-V06847-01	Vitamin K2 Impurity 8