methyl 10-oxodecanoate

C11H20O3 — CID 519005

IUPACmethyl 10-oxodecanoate
SMILESCOC(=O)CCCCCCCCC=O
InChIInChI=1S/C11H20O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h10H,2-9H2,1H3
InChIKeyLVPNLDGNIRVDRF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.48
Rot. Bonds9

About methyl 10-oxodecanoate

methyl 10-oxodecanoate (PubChem CID 519005) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 10-oxodecanoate.

Molecular Properties

Compound Namemethyl 10-oxodecanoate
PubChem CID519005
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 10-oxodecanoate
SMILESCOC(=O)CCCCCCCCC=O
InChIInChI=1S/C11H20O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h10H,2-9H2,1H3
InChIKeyLVPNLDGNIRVDRF-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 13-oxotridecanoate
CID 10331995
methyl 12-hydroxydodecanoate;methyl 12-oxododecanoate
CID 162225172
dimethyl (E)-triacont-15-enedioate
CID 10767955
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
methyl (E)-12-oxododec-9-enoate
CID 5364512
methyl 4-methyl-5-oxopentanoate;methyl 6-oxohexanoate
CID 159888667
bis(6-oxohexanoyl) dodecanedioate
CID 57274603
methyl 12-oxododec-8-ynoate
CID 131858509
12,12-dimethoxydodecanoic acid;methyl 12-oxododecanoate
CID 157181601
methyl 8-[2-(methylamino)ethyl-(6-oxohexyl)amino]octanoate
CID 168894509

Frequently Asked Questions

What is the IUPAC name of methyl 10-oxodecanoate?
The IUPAC name of methyl 10-oxodecanoate (CID 519005) is methyl 10-oxodecanoate.
What is the SMILES notation for methyl 10-oxodecanoate?
The canonical SMILES for methyl 10-oxodecanoate is COC(=O)CCCCCCCCC=O.
What is the InChIKey of methyl 10-oxodecanoate?
The InChIKey is LVPNLDGNIRVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h10H,2-9H2,1H3.
What are the key properties of methyl 10-oxodecanoate?
methyl 10-oxodecanoate has a molecular weight of 200.28 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-oxodecanoate is sourced from PubChem (CID 519005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).