Methyl 10-oxodecanoate
PubChem CID
519005
Structure
Molecular Formula
Synonyms
- Methyl 9-Formylnonanoate
- Methyl 10-oxodecanoate
- 14811-73-5
- Decanoic acid, 10-oxo-, methyl ester
- 10-Oxodecanoic acid, methyl ester
Molecular Weight
200.27 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
methyl 10-oxodecanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C11H20O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h10H,2-9H2,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
LVPNLDGNIRVDRF-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
COC(=O)CCCCCCCCC=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H20O3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Methyl 9-Formylnonanoate
- Methyl 10-oxodecanoate
- 14811-73-5
- Decanoic acid, 10-oxo-, methyl ester
- 10-Oxodecanoic acid, methyl ester
- 9-Formylnonanoic Acid Methyl Ester
- DTXSID10333871
- Methyl9-Formylnonanoate
- Methyl 9-formyinonanoate
- Methyl 10-oxodecanoate #
- SCHEMBL7201423
- DTXCID20284961
- MFCD06252531
- AKOS024391031
- AS-48176
- DA-33351
- M2263
- F19637
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
200.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
200.14124450 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
200.14124450 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
43.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
155
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
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 non-polar
1484
Standard polar
2091
NIST Number
195436
Library
Main library
Total Peaks
156
m/z Top Peak
74
m/z 2nd Highest
87
m/z 3rd Highest
125
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LVPNLDGNIRVDRF-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Methyl 10-oxodecanoatehttps://commonchemistry.cas.org/detail?cas_rn=14811-73-5
- EPA DSSToxMethyl 10-oxodecanoatehttps://comptox.epa.gov/dashboard/DTXSID10333871
- 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-law10-Oxodecanoic acid, methyl esterhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseDECANOIC ACID, 10-OXO-, METHYL ESTERhttps://spectrabase.com/spectrum/zjqIm6BhpH
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataMethyl 10-oxodecanoatehttps://www.wikidata.org/wiki/Q82099430
- PubChem
- PATENTSCOPE (WIPO)SID 393546765https://pubchem.ncbi.nlm.nih.gov/substance/393546765
CONTENTS