(Pent-1-yl) benzene

CAT: 0127-OR22469-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR22469-01Size:25 g

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CAS Number

538-68-1

Synonyms

1-pentylbenzene

MDL Number

MFCD00009502

Purity

95%

Smiles

CCCCCc1ccccc1

Chemical Information

Pentylbenzene

Pentylbenzene is a member of benzenes.

CAS Number	538-68-1
PubChem CID	10864
IUPAC Name	pentylbenzene
Molecular Formula	C11H16
Molecular Weight	148.24
XLogP	5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	80

SMILES

CCCCCC1=CC=CC=C1

InChI

InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

InChIKey

PWATWSYOIIXYMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 538-68-1

CID: 10864

Formula: C11H16

MW: 148.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.24
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	148.125200510
Monoisotopic Mass	148.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	80
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
JFA33690-01	1-Bromo-4- (pent-4-en-1-yl) benzene
UUB03664-01	1-Bromo-2- (pent-4-en-1-yl) benzene
GDA51874-01	[ (Pent-4-en-1-yloxy) methyl]benzene
sc-262551A	(5-Bromopent-1-yl) benzene
sc-262951	(8-Bromooct-1-yl) benzene
AAA82554-01	(Cyclopent-1-en-1-yl) benzene
DAA36526	(Cyclobut-1-en-1-yl) benzene
KDA29168-01	(1,3-Dibromopropan-2-yl) benzene
CAA01476-01	[ (1-Aminopropan-2-yl) sulfanyl]benzene
GAA44090-01	[ (1-Aminobutan-2-yl) oxy]benzene