chempirical

Phylloquinone

C31H46O2CAS 84-80-0450.71 g/mol

Open in Covalent MOL file
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AlkeneKetone

Properties

Molecular formula
C31H46O2
Molar mass
450.71 g/mol
Exact mass
450.3498 Da
Density
0.964 g/mL (at 25 °C)
Melting point
−20 °C
Boiling point
140–145 °C
logP
9.16Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
84-80-0
SMILES
CC1=C(C/C=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
InChIKey
MBWXNTAXLNYFJB-NKFFZRIASA-N
InChI
InChI=1S/C31H46O2/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/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

Weigh it out

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

Names and synonyms

36 names · show all
  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-
  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-
  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-
  • 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenedione
  • Antihemorrhagic vitamin
  • Mephyton
  • 2-Methyl-3-phytyl-1,4-naphthoquinone
  • Mono-kay
  • Phytomenadione
  • Phytonadione
  • Phytylmenadione
  • Vitamin K1(20)
  • α-Phylloquinone
  • Konakion
  • trans-Phylloquinone
  • 2′,3′-trans-Vitamin K1
  • Synthex P
  • Kephton
  • Kinadion
  • Monodion
  • Combinal K1
  • Kativ N
  • AquaMEPHYTON
  • Kaywan
  • Phylloquinone K1
  • Phytylmenaquinone
  • Pediatrico
  • Orakay
  • Veta K1
  • Veda K1
  • NSC 270681
  • Kanakion
  • Amri-K
  • Haemokion
  • Kenadion
  • Reconval

Work with Phylloquinone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Vitamin K211032-49-858 % similar Menaquinone 72124-57-458 % similar Menaquinone 684-81-158 % similar Menaquinone 4863-61-658 % similar Phytol150-86-747 % similar 3,7,11,15-Tetramethyl-2-hexadecen-1-ol7541-49-347 % similar Lapachol84-79-738 % similar Pristane1921-70-632 % similar

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

Same formula

Vitamin K12001-79-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook