Pentan-2-ylbenzene

CAT: 1299-RG-A263739-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A263739-01Size:10 mg

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

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CAS Number

2719-52-0

Synonyms

Pentan-2-ylbenzene

Molecular Formula

C11H16

Molecular Weight

148.25

Chemical Information

2-Phenylpentane

CAS Number	2719-52-0
PubChem CID	17627
IUPAC Name	pentan-2-ylbenzene
Molecular Formula	C11H16
Molecular Weight	148.24
XLogP	4.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	90

SMILES

CCCC(C)C1=CC=CC=C1

InChI

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

InChIKey

LTHAIAJHDPJXLG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2719-52-0

CID: 17627

Formula: C11H16

MW: 148.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.24
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	148.125200510
Monoisotopic Mass	148.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	90.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-P051407-01	Pentan-2-Ol
RG-P051409-01	Pentan-3-One
RG-P051410-01	Pentan-3-Ol
RG-P051412-01	Pentan-1-Amine
RG-P051424-01	Pentan-3-Yl Methanesulfonate
RG-P051423-01	Pentan-3-Yl Trifluoromethanesulfonate
RG-P051425-01	Pentan-3-Yl 4-Methylbenzenesulfonate
RG-A263119-01	5-Ethoxy-1- (4- (Trifluoromethyl) Phenyl) Pentan-1-One
RG-P051402-01	(2R,3S,4S) -Pentane-1,2,3,4,5-Pentaol
RG-P051427-01	Pentane-2,4-Dione

Catalog	Name
OR1061068-01	(Z) -But-2-en-2-ylbenzene
AR-B02371-01	But-1-en-2-ylbenzene
EAA54428-01	But-3-yn-2-ylbenzene
OR74519	Prop-2-yn-1-ylbenzene
AR-B06463-01	Prop-1-en-2-ylbenzene
OR1068940-01	Nonacosan-15-ylbenzene
OR460068	Pentan-2-ol
OR50994-01	3-Bromoprop-1-en-2-ylbenzene
JH222812	2-bromo-1-methyl-4-propan-2-ylbenzene
JH173456	1-methoxy-4-prop-1-en-2-ylbenzene