Ethyl 2,2,7,7-tetramethyl-6-oxooct-4-ynoate

HCID 58505758
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Basic information

Standard SMILES
CCOC(=O)C(C)(C)CC#CC(=O)C(C)(C)C
InChIKey
PSKQWIPZIJCNFS-UHFFFAOYSA-N
Molecular formula
C14H22O3
Average molar mass
238.32 g/mol
Monoisotopic mass
238.15689456

Names & identifiers

Preferred name
Ethyl 2,2,7,7-tetramethyl-6-oxooct-4-ynoate
IUPAC
ethyl 2,2,7,7-tetramethyl-6-oxooct-4-ynoate

Names & synonyms

SCHEMBL1313228PSKQWIPZIJCNFS-UHFFFAOYSA-Nethyl 2,2,7,7-tetramethyl-6-oxooct-4-ynoate

Database identifiers

PubChem CID
58505758

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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