6-Methyl-5-hepten-1-yne

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Basic information

CAS: 22842-10-0
Standard SMILES: C#CCCC=C(C)C
InChIKey: UDNVVNDNOWKDGK-UHFFFAOYSA-N
Molecular formula: C8H12
Average molar mass: 108.18 g/mol
Monoisotopic mass: 108.09390038

Names & identifiers

Preferred name: 6-Methyl-5-hepten-1-yne
IUPAC: 6-methylhept-5-en-1-yne
English name: 5-Hepten-1-yne, 6-methyl-
Molecular formula: C8H12
Molecular weight: 108.18

Names & synonyms

6-Methyl-5-hepten-1-yne22842-10-0DTXSID00334216RefChem:1074072DTXCID102853065-Hepten-1-yne, 6-methyl6-methylhept-5-en-1-yne6-Methyl-5-hepten-1-yne #SCHEMBL3469065SCHEMBL72790445-Hepten-1-yne, 6-methyl-

Database identifiers

CAS: 22842-10-0
PubChem CID: 519983
DTXSID: DTXSID00334216
Nikkaji: J1.409.942E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 60 · 60-62 °C(Press: 70 Torr)
Density: 0.785 · 0.785±0.06 g/cm3(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

6,6-Dimethylfulvene

Related reactions

1 records

New reaction record

HRID 22204As reactantuspto-grants-1995_06

Compound notes

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