2-(1-Heptynyl)-1-oxaspiro(2.5)octane

HCID 327313

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Basic information

CAS: 65885-61-2
Standard SMILES: CCCCCC#CC1OC12CCCCC2
InChIKey: BEOAOPNHJBZPBB-UHFFFAOYSA-N
Molecular formula: C14H22O
Average molar mass: 206.32 g/mol
Monoisotopic mass: 206.16706532

Names & identifiers

Preferred name: 2-(1-Heptynyl)-1-oxaspiro(2.5)octane
IUPAC: 2-hept-1-ynyl-1-oxaspiro[2.5]octane

Names & synonyms

2-(1-Heptynyl)-1-oxaspiro(2.5)octane65885-61-2NSC301771NSC 301771NSC-3017712-(1-Heptynyl)-1-oxaspiro[2.5]octane1-hept-1-ynyl-2-oxaspiro[2.5]octaneW7EX7T3C5Y1-Oxaspiro[2.5]octane, 2-(1-heptynyl)-2-(1-Heptyn-1-yl)-1-oxaspiro[2.5]octane{1-Oxaspiro[2.5]octane,} 2-(1-heptynyl)-1-Oxaspiro[2.5]octane, 2-(1-heptyn-1-yl)-

Database identifiers

CAS: 65885-61-2
PubChem CID: 327313
UNII: W7EX7T3C5Y

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 262

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