Einecs 279-051-8

2-methyl-3-[(E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione

Also Known As: Vitamin K 1|Vitamin K1 Impurity 13|Vitamin K1 Impurity 119|EINECS 279-051-8|(2E,7R,11S)-Vitamin K1|1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,S*-(E)]]-|(R*,S*-(E))-(1)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone|[R*,S*-(E)]-(+-)-2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone|2-methyl-3-((7R,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione|2-Methyl-3-[(2E,7R,11S)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthalenedione|2-methyl-3-[(E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione|3-Methyl-2-[(2E,7R,11S)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthalenedione|3-Methyl-2-[(2E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione|2-methyl-3-[(2E,7R,11S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione

Molecular Formula	C31H46O2
Molecular Weight	450.3498 g/mol
LogP	9.1576
Topological Polar Surface Area	34.14 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	14
Exact Mass	450.3498
Monoisotopic Mass	450.3498
Heavy Atoms	33
Complexity	855.42914

Chemical Identifiers

CAS Number	79082-97-6
SMILES	CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@@H](C)CCCC(C)C