2-Methylundecane

2-Methylundecane
Compound Structure:
Synonyms: 2-Methylundecane;ISODODECANE;7045-71-8;Undecane, 2-methyl-;31807-55-3;;2 2 4 6 6-PENTAMETHYLHEPTANE;2-Methylhendecane;isodo-decane
Compound ID: NMPC-269
PubChem ID:

23459
Molecular Formula: C12H26
Canonical SMILES: CCCCCCCCCC(C)C
InChIKey: GTJOHISYCKPIMT-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

170.33 g/mol

XLogP3-AA

6.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

8

Exact Mass

170.203450829 g/mol

Monoisotopic Mass

170.203450829 g/mol

Topological Polar Surface Area

0Ų

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

Source: PubChem
Source Species: Mucuna sloanei
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