3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-ol
PubChem CID
65183
Structure
Molecular Formula
Synonyms
- FLUOROLINK(R) D
- 107852-51-7
- 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
- 3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-ol
- (2E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
Molecular Weight
290.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2024-12-28
Description
3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-ol has been reported in Mikania goyazensis, Pellia epiphylla, and other organisms with data available.
Chemical Structure Depiction
3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
OJISWRZIEWCUBN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C20H34O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
6.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
290.260965704 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
290.260965704 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.2Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
390
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
3
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Accession ID
Authors
KURARAY CO., LTD.
Instrument
JEOL JMS-D-300
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 70 eV
Top 5 Peaks
69 999
41 578
81 516
93 453
55 234
License
CC BY-NC-SA
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Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing(E,E,E)-Geranylgeranyl alcoholhttp://www.hmdb.ca/metabolites/HMDB0247803
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-olhttps://www.wikidata.org/wiki/Q27109835LOTUS Treehttps://lotus.naturalproducts.net/
- MassBank Europe3,7,11,15-TETRAMETHYL-2E,6E,10E,14E-2,6,10,14-HEXADECATETRAEN-1-OLhttps://massbank.eu/MassBank/Result.jsp?inchikey=OJISWRZIEWCUBN-QIRCYJPOSA-N
- SpectraBase3,7,11,15-Tetramethyl-2e,6e,10e,14e-2,6,10,14-hexadecatetraen-1-olhttps://spectrabase.com/spectrum/DFANcGxZDKu
- Springer Nature
- Wikidatageranylgeraniolhttps://www.wikidata.org/wiki/Q27109835
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS