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Home > Other Heterocycles > 19888-27-8
19888-27-8 | Bicyclo[4.1.0]hept-4-ene-3-methanol, 7-[(3E)-5-hydroxy-4-methyl-3-pentenyl]-7-methyl-, (1R,6S,7R)-
CAS No: 19888-27-8 Catalog No: AG002BS5 MDL No:
Product Description
Catalog Number:
AG002BS5
Chemical Name:
Bicyclo[4.1.0]hept-4-ene-3-methanol, 7-[(3E)-5-hydroxy-4-methyl-3-pentenyl]-7-methyl-, (1R,6S,7R)-
CAS Number:
19888-27-8
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
(E)-5-[(1R,6S,7R)-3-(hydroxymethyl)-7-methyl-7-bicyclo[4.1.0]hept-2-enyl]-2-methylpent-2-en-1-ol
InChI:
InChI=1S/C15H24O2/c1-11(9-16)4-3-7-15(2)13-6-5-12(10-17)8-14(13)15/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4+/t13-,14+,15+/m0/s1
InChI Key:
BOEUJLMNWCJKHN-KSMMAEIZSA-N
SMILES:
OC/C(=C/CC[C@]1(C)[C@H]2[C@@H]1C=CC(C2)CO)/C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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