Bicyclo(3.3.1)nonan-2-ol
PubChem CID
557157
Structure
Molecular Formula
Synonyms
- Bicyclo[3.3.1]nonan-2-ol
- 2568-14-1
- DTXSID50339594
- Bicyclo(3.3.1)nonan-2-ol
- SCHEMBL2477741
Molecular Weight
140.22 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
bicyclo[3.3.1]nonan-2-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C9H16O/c10-9-5-4-7-2-1-3-8(9)6-7/h7-10H,1-6H2
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
LPHKHFHEUORJNL-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1CC2CCC(C(C1)C2)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H16O
Computed by PubChem 2.1 (PubChem release 2021.05.07)
2568-14-1
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
140.22 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
140.120115130 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
140.120115130 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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
122
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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
3
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 2021.05.07)
NIST Number
189941
Library
Main library
Total Peaks
63
m/z Top Peak
81
m/z 2nd Highest
94
m/z 3rd Highest
122
Thumbnail
NIST Number
32697
Library
Main library
Total Peaks
46
m/z Top Peak
81
m/z 2nd Highest
122
m/z 3rd Highest
94
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
- EPA DSSToxBicyclo[3.3.1]nonan-2-olhttps://comptox.epa.gov/dashboard/DTXSID50339594
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawBicyclo[3.3.1]nonan-2-olhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseBicyclo[3.3.1]nonan-2-olhttps://spectrabase.com/spectrum/CUCN713WTxBBicyclo[3.3.1]nonan-2-olhttps://spectrabase.com/spectrum/FWYXsStLgDpBicyclo[3.3.1]nonan-2-olhttps://spectrabase.com/spectrum/GcZzz1wLuMl
- Springer Nature
- WikidataBicyclo[3.3.1]nonan-2-olhttps://www.wikidata.org/wiki/Q82108736
- PubChem
CONTENTS