chempirical

Vitamin K2

C31H40O2CAS 11032-49-8444.66 g/mol

Open in Covalent MOL file
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AlkeneKetone

Properties

Molecular formula
C31H40O2
Molar mass
444.66 g/mol
Exact mass
444.3028 Da
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
11032-49-8
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
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

3 names
  • Menaquinones
  • Menaquinone
  • Menatetrenone

Work with Vitamin K2

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

Menaquinone 4863-61-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook