Deca-2,8-diyne-1,10-diol

HCID 14168564CAS 21390-02-3
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Basic information

Standard SMILES
OCC#CCCCCC#CCO
InChIKey
FGGPTATZXKPMAH-UHFFFAOYSA-N
Molecular formula
C10H14O2
Average molar mass
166.22 g/mol
Monoisotopic mass
166.09937969

Names & identifiers

Preferred name
Deca-2,8-diyne-1,10-diol
IUPAC
deca-2,8-diyne-1,10-diol
English name
2,8-Decadiyne-1,10-diol
Molecular formula
C10H14O2
Molecular weight
166.22

Names & synonyms

deca-2,8-diyne-1,10-diolDTXSID4055683921390-02-3RefChem:336663DTXCID60507621SCHEMBL9146192FGGPTATZXKPMAH-UHFFFAOYSA-N2,8-Decadiyne-1,10-diol

Database identifiers

CAS
21390-02-3
PubChem CID
14168564
DTXSID
DTXSID40556839
Nikkaji
J83.074G

Properties

Computed structural properties

XLogP
1
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
45 · 45-47 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Boiling point
326.9 · 326.9±27.0 °C(Predicted)
Density
1.07 · 1.070±0.06 g/cm3(Predicted)
pka
12.69 · 12.69±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Related reactions

1 records
New reaction record

Linked notes

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