methyl 3-methoxydecanoate

C12H24O3 — CID 14670805

IUPACmethyl 3-methoxydecanoate
SMILESCCCCCCCC(CC(=O)OC)OC
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-11(14-2)10-12(13)15-3/h11H,4-10H2,1-3H3
InChIKeyZBCDXSCYYHYNFA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.92
Rot. Bonds9

About methyl 3-methoxydecanoate

methyl 3-methoxydecanoate (PubChem CID 14670805) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 3-methoxydecanoate.

Molecular Properties

Compound Namemethyl 3-methoxydecanoate
PubChem CID14670805
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namemethyl 3-methoxydecanoate
SMILESCCCCCCCC(CC(=O)OC)OC
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-11(14-2)10-12(13)15-3/h11H,4-10H2,1-3H3
InChIKeyZBCDXSCYYHYNFA-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxydecanoate?
The IUPAC name of methyl 3-methoxydecanoate (CID 14670805) is methyl 3-methoxydecanoate.
What is the SMILES notation for methyl 3-methoxydecanoate?
The canonical SMILES for methyl 3-methoxydecanoate is CCCCCCCC(CC(=O)OC)OC.
What is the InChIKey of methyl 3-methoxydecanoate?
The InChIKey is ZBCDXSCYYHYNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-9-11(14-2)10-12(13)15-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 3-methoxydecanoate?
methyl 3-methoxydecanoate has a molecular weight of 216.32 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxydecanoate is sourced from PubChem (CID 14670805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).