chempirical

Vitamin K

C31H46O2CAS 12001-79-5450.71 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
logP
9.16Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
12001-79-5
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C
InChIKey
MBWXNTAXLNYFJB-LKUDQCMESA-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+

Weigh it out

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

Names and synonyms

1 names
  • Kanavit

Work with Vitamin K

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

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

Phylloquinone84-80-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook