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827325-77-9 | Cyclopentanehexanol, 3-hydroxy-2-(2Z)-2-pentenyl-, (1S,2S,3R)-
CAS No: 827325-77-9 Catalog No: AG004UWR MDL No:
Product Description
Catalog Number:
AG004UWR
Chemical Name:
Cyclopentanehexanol, 3-hydroxy-2-(2Z)-2-pentenyl-, (1S,2S,3R)-
CAS Number:
827325-77-9
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
(1R,2S,3S)-3-(6-hydroxyhexyl)-2-pent-2-enylcyclopentan-1-ol
InChI:
InChI=1S/C16H30O2/c1-2-3-6-10-15-14(11-12-16(15)18)9-7-4-5-8-13-17/h3,6,14-18H,2,4-5,7-13H2,1H3/t14-,15-,16+/m0/s1
InChI Key:
XEDGHMCHZZNDNT-HRCADAONSA-N
SMILES:
OCCCCCC[C@H]1CC[C@H]([C@H]1C/C=C\CC)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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