Pentamethylbenzene

CAT: 0024-sc-236321Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-236321Size:5 g

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CAS Number

700-12-9

Chemical Information

Pentamethylbenzene

Pentamethylbenzene is a methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups.

CAS Number	700-12-9
PubChem CID	12784
IUPAC Name	1,2,3,4,5-pentamethylbenzene
Molecular Formula	C11H16
Molecular Weight	148.24
XLogP	4.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

CC1=CC(=C(C(=C1C)C)C)C

InChI

InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3

InChIKey

BEZDDPMMPIDMGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 700-12-9

CID: 12784

Formula: C11H16

MW: 148.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.24
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	148.125200510
Monoisotopic Mass	148.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
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
AAA70012	Pentamethylbenzene
SBA44856-01	Pentamethylbenzene-1-thiol
P03640-01	Pentamethylbenzene 99%
CS-O-40649	1,2,3,4,5-Pentamethylbenzene-d16
OR1029404-01	1-Iodo-2,3,4,5,6-Pentamethylbenzene
OR23404-01	1-bromo-2,3,4,5,6-pentamethylbenzene
OR23675-01	2,3,4,5,6-Pentamethylbenzene-1-sulphonyl chloride
OR23499	1-[chloro (phenyl) methyl]-2,3,4,5,6-pentamethylbenzene
OR23505	1-[Chloro (4-chlorophenyl) methyl]-2,3,4,5,6-pentamethylbenzene
OR23715	N1- (2,2,2-trichloroethanimidoyl) -2,3,4,5,6-pentamethylbenzene-1-sulphonamide