3,3-Diethylpentane

CAT: 0926-FD180783-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FD180783-02Size:100 mg

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CAS Number

1067-20-5

Smiles

CCC (CC) (CC) CC

Molecular Formula

C9H20

Molecular Weight

128.26 g/mol

Controlled

Chemical Information

3,3-Diethylpentane

CAS Number	1067-20-5
PubChem CID	14020
IUPAC Name	3,3-diethylpentane
Molecular Formula	C9H20
Molecular Weight	128.25
XLogP	4.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	42

SMILES

CCC(CC)(CC)CC

InChI

InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3

InChIKey

BGXXXYLRPIRDHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1067-20-5

CID: 14020

Formula: C9H20

MW: 128.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.25
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	128.156500638
Monoisotopic Mass	128.156500638
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	42.9
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
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
JMB17199-01	3,3,3-Trifluoropropanehydrazide
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate
PID25565-01	3- (3,3,3-Trifluoropropyl) azetidine hydrochloride
VWB01274-01	3-[ (3,3,3-Trifluoropropyl) amino]propanenitrile
FB75602	1,3-Bis (3,3,3-trifluoropropyl) -1,1,3,3-tetramethyldisilazane

Catalog	Name
OR1014213-01	N4- (7-Chloroquinolin-4-Yl) -N1, N1-Diethylpentane-1,4-Diamine
OR1029504-01	N4- (6-Chloro-2-Methoxyacridin-9-Yl) -N1, N1-Diethylpentane-1,4-Diamine Dihydrochloride
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456S	3',3',3'-cAAG
160739	3,3,3-Trimethoxypropanenitrile
PC450524-01	3,3,3-Trifluoropropoxytriethylsilane
sc-261129	3,3,3-Trifluoropropionitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane