chempirical

Menaquinone 4

C31H40O2CAS 863-61-6444.66 g/mol

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OO
AlkeneKetone

Properties

Molecular formula
C31H40O2
Molar mass
444.66 g/mol
Exact mass
444.3028 Da
Melting point
35 °C
logP
8.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11
Double bonds
E, E, EE/Z, in SMILES order

Identifiers

CAS number
863-61-6
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
InChIKey
DKHGMERMDICWDU-GHDNBGIDSA-N
InChI
InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-
  • 1,4-Naphthoquinone, 2-methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-
  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-
  • 2-Methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,4-naphthalenedione
  • Vitamin K2(20)
  • Vitamin MK 4
  • Menaquinone K4
  • MK-4
  • 2-Methyl-3-geranylgeranyl-1,4-naphthoquinone
  • Menatetrenone
  • Kaytwo
  • Glakay
  • K-Viton
  • Vitamin K2
  • Vitamin K2-4

Work with Menaquinone 4

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Menaquinone 72124-57-4100 % similar Menaquinone 684-81-1100 % similar Vitamin K12001-79-558 % similar Phylloquinone84-80-058 % similar Lapachol84-79-752 % similar Coenzyme Q10303-98-049 % similar Farnesylthiosalicylic acid162520-00-548 % similar Geranyl benzoate94-48-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Vitamin K211032-49-8

Elsewhere

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