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Home > Other Heterocycles > 85799-18-4
85799-18-4 | 1,6-Dioxaspiro[4.5]dec-3-ene, 2-(2,4-hexadiynylidene)-, (2Z,5R)-
CAS No: 85799-18-4 Catalog No: AG004XX6 MDL No:
Product Description
Catalog Number:
AG004XX6
Chemical Name:
1,6-Dioxaspiro[4.5]dec-3-ene, 2-(2,4-hexadiynylidene)-, (2Z,5R)-
CAS Number:
85799-18-4
Molecular Formula:
C14H14O2
Molecular Weight:
214.2598
IUPAC Name:
(5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
InChI:
InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/t14-/m1/s1
InChI Key:
RNEORCMLRJNFGE-CQSZACIVSA-N
SMILES:
CC#CC#C/C=C\1/C=C[C@]2(O1)CCCCO2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.264g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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