Furan, 2,5-diethenyltetrahydro-2-methyl-
PubChem CID
57500618
Structure
Molecular Formula
Synonyms
- 104188-15-0
- 2,5-Diethenyl-2-methyloxolane
- Furan, 2,5-diethenyltetrahydro-2-methyl-
- DTXSID80726938
- BYXCYPBKZWWZIN-UHFFFAOYSA-N
Molecular Weight
138.21 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2012-08-08
- Modify:2024-12-07
Chemical Structure Depiction
2,5-bis(ethenyl)-2-methyloxolane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C9H14O/c1-4-8-6-7-9(3,5-2)10-8/h4-5,8H,1-2,6-7H2,3H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
BYXCYPBKZWWZIN-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC1(CCC(O1)C=C)C=C
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C9H14O
Computed by PubChem 2.1 (PubChem release 2019.06.18)
104188-15-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
138.21 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.1
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
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
138.104465066 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
138.104465066 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
9.2Ų
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
151
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
2
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 2012.05.21)
Semi-standard non-polar
915.7, 914, 914, 912, 912
NIST Number
412403
Library
Main library
Total Peaks
44
m/z Top Peak
67
m/z 2nd Highest
55
m/z 3rd Highest
123
Thumbnail
Source of Spectrum
Adams' Essential Oil Components (GC-MS), Version 4
Copyright
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BYXCYPBKZWWZIN-UHFFFAOYSA-N
- EPA DSSTox2,5-Diethenyl-2-methyloxolanehttps://comptox.epa.gov/dashboard/DTXSID80726938CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law2-Methyl-2,5-divinyltetrahydrofuranhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseTetrahydrofuran<2,5-diethenyl-2-methyl->https://spectrabase.com/spectrum/20TYkfHRLsFuran <2,5-diethenyl-, tetrahydro-, 2-methyl->https://spectrabase.com/spectrum/Gr3SPUntLxL
- Wikidata2,5-Diethenyl-2-methyloxolanehttps://www.wikidata.org/wiki/Q82667884
- PubChem
- PATENTSCOPE (WIPO)SID 440633722https://pubchem.ncbi.nlm.nih.gov/substance/440633722
CONTENTS