2,5,5-Trimethyl-1-hexen-3-yne

2,5,5-Trimethyl-1-hexen-3-yne
Compound Structure:
Synonyms: 2,5,5-Trimethyl-1-hexen-3-yne;t-butylisopropenylacetylene;2,5,5-trimethyl-hex-1-en-3-yne;1-Hexen-3-yne, 2,5,5-trimethyl-;2,5,5-Trimethyl-1-hexen-3-yne #
Compound ID: NMPC-184
PubChem ID:

572126
Molecular Formula: C9H14
Canonical SMILES: CC(=C)C#CC(C)(C)C
InChIKey: KHPXLOYGMFWVJI-UHFFFAOYSA-N
About the compound:


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

122.21 g/mol

XLogP3-AA

3.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

2

Exact Mass

122.109550447 g/mol

Monoisotopic Mass

122.109550447 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

165

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: Pteris togoensis
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