1,4-Diisopropylbenzene

CAT: 0926-AAA10018-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-AAA10018-01Size:0.25 g

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CAS Number

100-18-5

MDL Number

MFCD00008892

Smiles

CC (C) C1=CC=C (C=C1) C (C) C

Molecular Formula

C12H18

Molecular Weight

162.27 g/mol

Controlled

Chemical Information

1,4-Diisopropylbenzene

CAS Number	100-18-5
PubChem CID	7486
IUPAC Name	1,4-di(propan-2-yl)benzene
Molecular Formula	C12H18
Molecular Weight	162.27
XLogP	4.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	100

SMILES

CC(C)C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3

InChIKey

SPPWGCYEYAMHDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-18-5

CID: 7486

Formula: C12H18

MW: 162.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.27
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	162.140850574
Monoisotopic Mass	162.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HCA19017	2-Bromo-1,3-diisopropylbenzene
ABA32109	Diisopropylbenzene (mixture of isomers)
FD62762-01	1,4-Diisopropenylbenzene
FQ43601-01	1,1':4',1'':4'',1'''-Quaterphenyl
LBA68444-01	1,4-Butane-1,1,4,4-d4-diol
BHB15087-01	1,4,4-Trimethylcyclohexan-1-amine
AAA71302-01	4,4,4-Trifluoro-1-phenylbutan-1-one
RBA88596-01	1- (4-Methylphenyl) -1,4-diazepane
QHB65087-01	1- (4-Methoxybenzoyl) -1,4-diazepane
MCA38130-01	1,4-Dicyclopropylbutane-1,4-dione

Catalog	Name
sc-237763	1,4-Diisopropylbenzene
sc-487401	α, α'-Bis (4-hydroxyphenyl) -1,4-diisopropylbenzene
sc-487400	α, α'-Bis (4-aminophenyl) -1,4-diisopropylbenzene
OR1098182-01	2-bromo-1,4-diisopropylbenzene
OR1099675	1-bromo-2,4-diisopropylbenzene
273068-01	1,3-Diisopropylbenzene
AR-B06360-01	1,2-Diisopropylbenzene
sc-485032	Diisopropylbenzene
JH917942	1,4-Dibromo-2,6-diisopropylbenzene
JH916848	ALPHA, ALPHA'-BIS (4-AMINOPHENYL) -1,4-DIISOPROPYLBENZENE