2,5-dimethylheptane

2,5-dimethylheptane
Compound Structure:
Synonyms: 2,5-dimethylheptane;Heptane, 2,5-dimethyl-;2,5-dimethyl-heptane;3,6-Dimethylheptane
Compound ID: NMPC-188
PubChem ID:

16662
Molecular Formula: C9H20
Canonical SMILES: CCC(C)CCC(C)C
InChIKey: HQZHQNKZOYIKQC-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (15.56%): Flammable liquid and vapor [Warning Flammable liquids]

• H315 (84.44%): Causes skin irritation [Warning Skin corrosion/irritation]

• H400 (84.44%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (84.44%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

128.25 g/mol

XLogP3-AA

4.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

4

Exact Mass

128.156500638 g/mol

Monoisotopic Mass

128.156500638 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

55.1

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

Physical Description

Colorless liquid; [Chem Service MSDS]

Source: PubChem            
Source Species: Bryophyllum pinnatum
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