3-Ethyl-3-methyl-2-pentanol
PubChem CID
538240
Structure
Molecular Formula
Synonyms
- 3-ethyl-3-methylpentan-2-ol
- 3-Ethyl-3-methyl-2-pentanol
- 66576-22-5
- DTXSID30337053
- SCHEMBL3108460
Molecular Weight
130.23 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Chemical Structure Depiction
3-ethyl-3-methylpentan-2-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C8H18O/c1-5-8(4,6-2)7(3)9/h7,9H,5-6H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
SLBLSROGXMXPPF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCC(C)(CC)C(C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H18O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
66576-22-5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
130.23 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.4
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
130.135765193 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
130.135765193 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
9
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
74.6
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
1
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 2021.10.14)
Standard polar
1386
NIST Number
114882
Library
Main library
Total Peaks
40
m/z Top Peak
43
m/z 2nd Highest
84
m/z 3rd Highest
85
Thumbnail
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SLBLSROGXMXPPF-UHFFFAOYSA-N
- EPA DSSTox3-Ethyl-3-methyl-2-pentanolhttps://comptox.epa.gov/dashboard/DTXSID30337053CompTox 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-law3-Ethyl-3-methyl-2-pentanolhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase3-ETHYL-3-METHYL-2-PENTANOLhttps://spectrabase.com/spectrum/4bZNePCHYsf
- Wikidata3-Ethyl-3-methyl-2-pentanolhttps://www.wikidata.org/wiki/Q82104634
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 394950864https://pubchem.ncbi.nlm.nih.gov/substance/394950864
CONTENTS