3-Ethyl-2-methyl-1-pentene

CAT: 0024-sc-266642Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-266642Size:5 g

Selected

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

Quick Request Actions

CAS Number

19780-66-6

Chemical Information

1-Pentene, 3-ethyl-2-methyl-

CAS Number	19780-66-6
PubChem CID	140591
IUPAC Name	3-ethyl-2-methylpent-1-ene
Molecular Formula	C8H16
Molecular Weight	112.21
XLogP	3.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

CCC(CC)C(=C)C

InChI

InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h8H,3,5-6H2,1-2,4H3

InChIKey

HPHHYSWOBXEIRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19780-66-6

CID: 140591

Formula: C8H16

MW: 112.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.21
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	112.125200510
Monoisotopic Mass	112.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.1
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