Tricyclo[4.2.1.1(2,5)]decane
PubChem CID
556700
Structure
Molecular Formula
Synonyms
- Tricyclo[4.2.1.1(2,5)]decane
- RKBXEEWDGKTVPH-UHFFFAOYSA-N
- AKOS024437030
Molecular Weight
136.23 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
tricyclo[4.2.1.12,5]decane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H16/c1-2-8-5-7(1)9-3-4-10(8)6-9/h7-10H,1-6H2
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
RKBXEEWDGKTVPH-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1CC2CC1C3CCC2C3
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H16
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
136.23 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3.8
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
136.125200510 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
136.125200510 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
116
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
4
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
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 2019.01.04)
NIST Number
192804
Library
Main library
Total Peaks
76
m/z Top Peak
80
m/z 2nd Highest
67
m/z 3rd Highest
79
Thumbnail
NIST Number
191687
Library
Replicate library
Total Peaks
75
m/z Top Peak
67
m/z 2nd Highest
79
m/z 3rd Highest
95
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=RKBXEEWDGKTVPH-UHFFFAOYSA-N
- 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-lawTricyclo[4.2.1.1(2,5)]decanehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseTRICYCLO[4.2.1.1 2,5]DECANEhttps://spectrabase.com/spectrum/BtIs1Dwr93sTRICYCLO[4.2.1.1 2,5]DECANEhttps://spectrabase.com/spectrum/KgUMvXKISYfanti-Tricyclo(4.2.1.1/2,5/)decanehttps://spectrabase.com/spectrum/8OQBC4HHIsq
- PubChem
- PATENTSCOPE (WIPO)SID 389644037https://pubchem.ncbi.nlm.nih.gov/substance/389644037
CONTENTS