2,2,4,6,6-Pentamethylheptane

CAT: 0926-FP171453Size: 50 mLDry Ice: NoHazardous: No

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CAT#:0926-FP171453Size:50 mL

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CAS Number

31807-55-3

MDL Number

MFCD00036106

Smiles

CCCCCCCCCC (C) C

Molecular Formula

C12H26

Molecular Weight

170.33 g/mol

Controlled

Chemical Information

2-Methylundecane

2-methylundecane is an alkane.

CAS Number	31807-55-3
PubChem CID	23459
IUPAC Name	2-methylundecane
Molecular Formula	C12H26
Molecular Weight	170.33
XLogP	6.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	74

SMILES

CCCCCCCCCC(C)C

InChI

InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3

InChIKey

GTJOHISYCKPIMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31807-55-3

CID: 23459

Formula: C12H26

MW: 170.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.33
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Exact Mass	170.203450829
Monoisotopic Mass	170.203450829
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	74.1
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

Catalog	Name
IBA97903-01	2,2',4,4',6,6'-Hexachlorobiphenyl
FH102053-01	2,2,4,4,6,6-Hexakis (2,2-difluoroethoxy) -2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
GCA55816-01	2,2',4,6,6'-Pentachlorobiphenyl
FH102721-01	2,2,4,4,6,6-Hexakis (2,2,3,3,4,4-hexafluorobutoxy) -2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
FT157040-01	4,4',6,6'-Tetramethyl-2,2'-bipyridine
ZCA47248-01	2,2',3,4,4',6,6'-Heptachlorobiphenyl
WAA00280-01	Testosterone-2,2,4,6,6-d5
NQC76006-01	4- (Bromomethyl) -2,2,6,6-tetramethyloxane
MYB02133-01	2,2,6,6-Tetramethyloxane-4-carbaldehyde
FM172349-01	4-Methacrylamido-2,2,6,6-tetramethylpiperidine

Catalog	Name
TRC-P227225-1ML	2,2,4,6,6-Pentamethylheptane
OR1049320-01	2,2,4,6,6-Pentamethylheptane-3,5-dione
sc-223462A	2,2,4,4,6,6-Hexamethylcyclotrisilazane
OR27962	2,2,4,4,6,6-Hexamethylheptane
AR-B07334-01	2,2'4,4',6,6'-Hexabromobiphenyl
TRC-H295030-50MG	2,2',4,4',6,6'-Hexachlorobiphenyl
OR75211-01	4,4,4',4',6,6,6',6'-Octamethyl-2,2'-bi (1,3,2-dioxaborinane)
TRC-H281405-25MG	2,2',4,4',6,6'-Hexabromo-bibenzyl
sc-231035	2,4,6-Trimethyl-2,4,6-trivinylcyclotrisilazane
OR1009883	2,2',6,6'-Tetramethyl-4,4'-biphenol