Vitamin K
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Molecular Identity
Vitamin K
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
PubChem CID: 5280483
2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione is a member of 1,4-naphthoquinones.
2D Structure
Properties
C31H46O2
Molecular Formula
450.70
Molecular Weight
g/mol
450.3498
Exact Mass
Da
10.9
XLogP
Above Lipinski threshold
34.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
696
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)CIsomeric SMILES
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)CSynonyms(20)
VITAMIN K12001-79-5DTXSID1052743RefChem:934090CHEBI:28384234-408-72-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione.alpha.-PhylloquinonePhythyl-menadion2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dioneMFCD000016833-methyl-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione2581046-19-527696-10-2
Data from PubChem (NCBI)
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