Vitamin E Impurity 4

CAT: 1596-AR-V06813-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06813-04Size:100 Units

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

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CAS Number

86993-71-7

Molecular Formula

C30H52O2

Molecular Weight

444.74

API Name

Vitamin e

Chemical Information

4-Methoxy-2,3,6-trimethyl-5-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-EN-1-YL]phenol

CAS Number	86993-71-7
PubChem CID	71750150
IUPAC Name	4-methoxy-2,3,6-trimethyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]phenol
Molecular Formula	C30H52O2
Molecular Weight	444.7
XLogP	11.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	32
Formal Charge	0
Complexity	511

SMILES

CC1=C(C(=C(C(=C1O)C)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC)C

InChI

InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-18-24(5)19-20-28-27(8)29(31)25(6)26(7)30(28)32-9/h19,21-23,31H,10-18,20H2,1-9H3/b24-19+/t22-,23-/m1/s1

InChIKey

OSASXCLFHSTYLS-OLOZJIBXSA-N

Chemical Structure

2D Structure

CAS: 86993-71-7

CID: 71750150

Formula: C30H52O2

MW: 444.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.7
XLogP3	11.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	444.396730897
Monoisotopic Mass	444.396730897
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	511
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Vitamin E Impurity 4

Chemical Information

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