Name: Name:(5S)-2,3-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
Brand: Angene
SKU: AG01DWQ9
Rating: 90 (10 reviews)

(5S)-2,3-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

CAS No.:

85710-66-3

Catalog Number:

AG01DWQ9

Molecular Formula:

C11H16O

Molecular Weight:

164.2441

Catalog Number:

AG01DWQ9

Chemical Name:

(5S)-2,3-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

CAS Number:

85710-66-3

Molecular Formula:

C11H16O

Molecular Weight:

164.2441

MDL Number:

MFCD31616939

IUPAC Name:

2,3-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

InChI:

InChI=1S/C11H16O/c1-7(2)10-5-8(3)9(4)11(12)6-10/h10H,1,5-6H2,2-4H3

InChI Key:

CNIGYRRBFLTZNO-UHFFFAOYSA-N

SMILES:

CC(=C)[C@H]1CC(=C(C(=O)C1)C)C

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.248g/mol

Monoisotopic Mass:

164.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3