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Dec-2-yn-4-ol

HCID 190409
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
102616-18-2
Standard SMILES
CC#CC(O)CCCCCC
InChIKey
UHCYHYDEYHUCHB-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.13576519

Names & identifiers

Preferred name
Dec-2-yn-4-ol
IUPAC
dec-2-yn-4-ol

Names & synonyms

Dec-2-yn-4-ol2-Decyn-4-ol71393-77-6102616-18-2SCHEMBL10617834DTXSID20276700

Database identifiers

CAS
102616-18-2、71393-77-6
PubChem CID
190409
DTXSID
DTXSID20276700

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
11
Formal charge
0
Complexity
137

Related reactions

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Compound notes

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