1,3,5,8-Undecatetraene
PubChem CID
5367430
Structure
Molecular Formula
Synonyms
- 1,3,5,8-Undecatetraene
- 1,3,5,8-Undecatetraene, (E,E,Z)-
- JXRWPVZILDJGFO-NDNIUKBNSA-N
- (3E,5E,8E)-1,3,5,8-Undecatetraene #
Molecular Weight
148.24 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-10
Chemical Structure Depiction
(3E,5E,8E)-undeca-1,3,5,8-tetraene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5-9,11H,1,4,10H2,2H3/b7-5+,8-6+,11-9+
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
JXRWPVZILDJGFO-NDNIUKBNSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC/C=C/C/C=C/C=C/C=C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H16
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
148.24 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
148.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
148.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
159
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
3
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
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)
Standard non-polar
1172
Semi-standard non-polar
1177 , 1180 , 1173
Standard polar
1469 , 1431 , 1440 , 1454
NIST Number
99097
Library
Main library
Total Peaks
88
m/z Top Peak
79
m/z 2nd Highest
91
m/z 3rd Highest
41
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1,3,5,8-Undecatetraenehttp://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- PubChem
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