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Home > Other Heterocycles > 85187-15-1
85187-15-1 | Bicyclo[4.1.0]heptan-3-ol,3,7,7-trimethyl-4-(octylthio)-
CAS No: 85187-15-1 Catalog No: AG004QNZ MDL No:
Product Description
Catalog Number:
AG004QNZ
Chemical Name:
Bicyclo[4.1.0]heptan-3-ol,3,7,7-trimethyl-4-(octylthio)-
CAS Number:
85187-15-1
Molecular Formula:
C18H34OS
Molecular Weight:
298.5270
IUPAC Name:
3,7,7-trimethyl-4-octylsulfanylbicyclo[4.1.0]heptan-3-ol
InChI:
InChI=1S/C18H34OS/c1-5-6-7-8-9-10-11-20-16-12-14-15(17(14,2)3)13-18(16,4)19/h14-16,19H,5-13H2,1-4H3
InChI Key:
LGBTXVVFHLNTQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCSC1CC2C(CC1(C)O)C2(C)C
EC Number:
286-102-8
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.233g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.529g/mol
Monoisotopic Mass:
298.233g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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