CAS 17677-87-1 | 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl- | CAS Number 17677-87-1

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17677-87-1 | 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-

CAS No: 17677-87-1 Catalog No: AG0024WI MDL No:

Product Description

Catalog Number:

AG0024WI

Chemical Name:

1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-

CAS Number:

17677-87-1

Molecular Formula:

C10H16O2

Molecular Weight:

168.2328

IUPAC Name:

2,2,6-trimethyl-1-oxaspiro[2.5]octan-4-one

InChI:

InChI=1S/C10H16O2/c1-7-4-5-10(8(11)6-7)9(2,3)12-10/h7H,4-6H2,1-3H3

InChI Key:

OFUGTKAUAMKFPM-UHFFFAOYSA-N

SMILES:

CC1CCC2(C(=O)C1)OC2(C)C

NSC Number:

316069

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.236g/mol

Monoisotopic Mass:

168.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Structure and spasmolytic activity relationships of monoterpene analogues found in many aromatic plants.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20080101
Antinociceptive activity of structural analogues of rotundifolone: structure-activity relationship.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20070101