chempirical

Solanesol

C45H74OCAS 13190-97-1631.09 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C45H74O
Molar mass
631.09 g/mol
Exact mass
630.5740 Da
Melting point
33–35 °C
logP
14.76Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
25
Double bonds
E, E, E, E, E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
13190-97-1
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIKey
AFPLNGZPBSKHHQ-MEGGAXOGSA-N
InChI
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+

Weigh it out

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

Names and synonyms

5 names
  • 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-
  • 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-
  • (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-ol
  • Nonaisoprenol
  • Farnesylfarnesylfarnesol

Work with Solanesol

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

trans-Farnesol106-28-5100 % similar Geranylgeraniol24034-73-9100 % similar Farnesol4602-84-0100 % similar Geraniol106-24-196 % similar Nerol106-25-296 % similar Squalene111-02-472 % similar Farnesylacetone1117-52-858 % similar Geranylacetone3796-70-158 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia