methyl 3-methoxydodecanoate

C14H28O3 — CID 91697245

IUPACmethyl 3-methoxydodecanoate
SMILESCCCCCCCCCC(CC(=O)OC)OC
InChIInChI=1S/C14H28O3/c1-4-5-6-7-8-9-10-11-13(16-2)12-14(15)17-3/h13H,4-12H2,1-3H3
InChIKeyAHHDYOFPDJHYIO-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.71
Rot. Bonds11

About methyl 3-methoxydodecanoate

methyl 3-methoxydodecanoate (PubChem CID 91697245) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is methyl 3-methoxydodecanoate.

Molecular Properties

Compound Namemethyl 3-methoxydodecanoate
PubChem CID91697245
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Namemethyl 3-methoxydodecanoate
SMILESCCCCCCCCCC(CC(=O)OC)OC
InChIInChI=1S/C14H28O3/c1-4-5-6-7-8-9-10-11-13(16-2)12-14(15)17-3/h13H,4-12H2,1-3H3
InChIKeyAHHDYOFPDJHYIO-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.71
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-methoxydodecanoate?
The IUPAC name of methyl 3-methoxydodecanoate (CID 91697245) is methyl 3-methoxydodecanoate.
What is the SMILES notation for methyl 3-methoxydodecanoate?
The canonical SMILES for methyl 3-methoxydodecanoate is CCCCCCCCCC(CC(=O)OC)OC.
What is the InChIKey of methyl 3-methoxydodecanoate?
The InChIKey is AHHDYOFPDJHYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-5-6-7-8-9-10-11-13(16-2)12-14(15)17-3/h13H,4-12H2,1-3H3.
What are the key properties of methyl 3-methoxydodecanoate?
methyl 3-methoxydodecanoate has a molecular weight of 244.37 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxydodecanoate is sourced from PubChem (CID 91697245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).