Name: Name:4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one
Brand: Angene
SKU: AG00DBRQ
Rating: 90 (10 reviews)

4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one

CAS No.:

50650-75-4

Catalog Number:

AG00DBRQ

Molecular Formula:

C14H22O2

Molecular Weight:

222.3233

Catalog Number:

AG00DBRQ

Chemical Name:

4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one

CAS Number:

50650-75-4

Molecular Formula:

C14H22O2

Molecular Weight:

222.3233

MDL Number:

MFCD09263463

IUPAC Name:

4-methyl-6-(2,4,4-trimethylpentyl)pyran-2-one

InChI:

InChI=1S/C14H22O2/c1-10-6-12(16-13(15)8-10)7-11(2)9-14(3,4)5/h6,8,11H,7,9H2,1-5H3

InChI Key:

LMCDKONPVQNISE-UHFFFAOYSA-N

SMILES:

CC(CC(C)(C)C)Cc1cc(C)cc(=O)o1

EC Number:

610-555-6

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.328g/mol

Monoisotopic Mass:

222.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: