4-Methyloctane

CAT: 0926-FM29502-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FM29502-01Size:250 mg

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CAS Number

2216-34-4

MDL Number

MFCD00039963

Smiles

CCCCC (C) CCC

Molecular Formula

C9H20

Molecular Weight

128.26 g/mol

Controlled

Chemical Information

4-Methyloctane

4-methyloctane has been reported in Nicotiana tabacum with data available.

CAS Number	2216-34-4
PubChem CID	16665
IUPAC Name	4-methyloctane
Molecular Formula	C9H20
Molecular Weight	128.25
XLogP	4.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	48

SMILES

CCCCC(C)CCC

InChI

InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3

InChIKey

DOGIHOCMZJUJNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2216-34-4

CID: 16665

Formula: C9H20

MW: 128.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.25
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	128.156500638
Monoisotopic Mass	128.156500638
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	48
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
NEC38215-01	4-Ethynyl-4-methyloxane
FH100281-01	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-methyloctane-1-sulfonamide
NDA57220-01	2-Methyloxane-4-carbonitrile
RDC59061-01	2-Methyloxane-4-thiol
PDC42220-01	2-Methyloxane-4-sulfonamide
SLC54850-01	4- (Bromomethyl) -2-methyloxane
WSC48295-01	3-Methyloxane-4-carbonitrile
JWC37364-01	4,4,4-Trifluoro-2-methylbutane-1-sulfonyl chloride
BKD16280-01	4-Amino-N-methyloxane-4-carboxamide hydrochloride
GAA97057-01	4-Ethyl-4-methyloxane-2,6-dione

Catalog	Name
433167-01	4-Methyloctane
RG-A261248-01	(±) -4-Methyloctane
M23740-01	4-Methyloctane 96%
OR1043677-01	3-Methyloctane
sc-238155	2-Methyloctane
HY-W288587S-01	3-Methyloctane-d20
M23730	3-Methyloctane 99%
M330644	(±)-3-Methyloctane-d20
sc-258757A	1-Iodoperfluoro (7-methyloctane)
TRC-B180635-500MG	1-Bromo-7-methyloctane