6-Methyl-5-hepten-1-yne

HCID 519983CAS 22842-10-0
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Basic information

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 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
8

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

Suppliers2 total

深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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