Rubber Impurity 2

CAT: 1299-RM-R281002-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R281002-02Size:25 mg

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CAS Number

2518227-14-8

Synonyms

2- (3-bromoprop-1-en-2-yl) -1,1,5,5-tetramethyl-3- (2,2,4-trimethylpentyl) cyclohexane

Molecular Formula

C21H39Br

Molecular Weight

371.45

Target Alternative Name

Rubber

Product Name Synonym

2- (3-bromoprop-1-en-2-yl) -1,1,5,5-tetramethyl-3- (2,2,4-trimethylpentyl) cyclohexane

Chemical Information

2-(3-Bromoprop-1-en-2-yl)-1,1,5,5-tetramethyl-3-(2,2,4-trimethylpentyl)cyclohexane

CAS Number	2518227-14-8
PubChem CID	165362562
IUPAC Name	2-(3-bromoprop-1-en-2-yl)-1,1,5,5-tetramethyl-3-(2,2,4-trimethylpentyl)cyclohexane
Molecular Formula	C21H39Br
Molecular Weight	371.4
XLogP	9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	387

SMILES

CC(C)CC(C)(C)CC1CC(CC(C1C(=C)CBr)(C)C)(C)C

InChI

InChI=1S/C21H39Br/c1-15(2)10-19(4,5)11-17-12-20(6,7)14-21(8,9)18(17)16(3)13-22/h15,17-18H,3,10-14H2,1-2,4-9H3

InChIKey

IOVFZUMVXLTYTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2518227-14-8

CID: 165362562

Formula: C21H39Br

MW: 371.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	370.22351
Monoisotopic Mass	370.22351
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	387
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

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