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Home > Other Heterocycles > 92007-41-5
92007-41-5 | Spiro[1,3-dioxane-2,2'(3'H)-pentalene],1',3'a,6',6'a-tetrahydro-5,5-dimethyl-, (3'aR,6'aS)-rel-
CAS No: 92007-41-5 Catalog No: AG00IGZQ MDL No:MFCD27957338
Product Description
Catalog Number:
AG00IGZQ
Chemical Name:
Spiro[1,3-dioxane-2,2'(3'H)-pentalene],1',3'a,6',6'a-tetrahydro-5,5-dimethyl-, (3'aR,6'aS)-rel-
CAS Number:
92007-41-5
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
MDL Number:
MFCD27957338
IUPAC Name:
5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
InChI:
InChI=1S/C13H20O2/c1-12(2)8-14-13(15-9-12)6-10-4-3-5-11(10)7-13/h3-4,10-11H,5-9H2,1-2H3
InChI Key:
MFPZHVAUQQEPCD-UHFFFAOYSA-N
SMILES:
CC1(C)COC2(OC1)CC1C(C2)CC=C1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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