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Home > Other Heterocycles > 921770-77-6
921770-77-6 | 2-Cyclopenten-1-ol, 4-[(2S)-1,4-dioxaspiro[4.5]dec-2-yl]-, (1R,4R)-
CAS No: 921770-77-6 Catalog No: AG0063X5 MDL No:
Product Description
Catalog Number:
AG0063X5
Chemical Name:
2-Cyclopenten-1-ol, 4-[(2S)-1,4-dioxaspiro[4.5]dec-2-yl]-, (1R,4R)-
CAS Number:
921770-77-6
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
(1R,4R)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]cyclopent-2-en-1-ol
InChI:
InChI=1S/C13H20O3/c14-11-5-4-10(8-11)12-9-15-13(16-12)6-2-1-3-7-13/h4-5,10-12,14H,1-3,6-9H2/t10-,11-,12+/m0/s1
InChI Key:
WUMFEXLSPUEDQO-SDDRHHMPSA-N
SMILES:
O[C@H]1C=C[C@@H](C1)[C@H]1COC2(O1)CCCCC2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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