methyl 3-methoxytetradecanoate

C16H32O3 — CID 554272

IUPACmethyl 3-methoxytetradecanoate
SMILESCCCCCCCCCCCC(CC(=O)OC)OC
InChIInChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-15(18-2)14-16(17)19-3/h15H,4-14H2,1-3H3
InChIKeyKIBVGOIDEDIMJK-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.49
Rot. Bonds13

About methyl 3-methoxytetradecanoate

methyl 3-methoxytetradecanoate (PubChem CID 554272) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl 3-methoxytetradecanoate.

Molecular Properties

Compound Namemethyl 3-methoxytetradecanoate
PubChem CID554272
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Namemethyl 3-methoxytetradecanoate
SMILESCCCCCCCCCCCC(CC(=O)OC)OC
InChIInChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-15(18-2)14-16(17)19-3/h15H,4-14H2,1-3H3
InChIKeyKIBVGOIDEDIMJK-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.49
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-methoxytetradecanoate?
The IUPAC name of methyl 3-methoxytetradecanoate (CID 554272) is methyl 3-methoxytetradecanoate.
What is the SMILES notation for methyl 3-methoxytetradecanoate?
The canonical SMILES for methyl 3-methoxytetradecanoate is CCCCCCCCCCCC(CC(=O)OC)OC.
What is the InChIKey of methyl 3-methoxytetradecanoate?
The InChIKey is KIBVGOIDEDIMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-15(18-2)14-16(17)19-3/h15H,4-14H2,1-3H3.
What are the key properties of methyl 3-methoxytetradecanoate?
methyl 3-methoxytetradecanoate has a molecular weight of 272.43 g/mol, XLogP of 4.49, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxytetradecanoate is sourced from PubChem (CID 554272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).