methyl (2R)-2-methoxyhexadecanoate

C18H36O3 — CID 11781573

IUPACmethyl (2R)-2-methoxyhexadecanoate
SMILESCCCCCCCCCCCCCC[C@@H](OC)C(=O)OC
InChIInChI=1S/C18H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h17H,4-16H2,1-3H3/t17-/m1/s1
InChIKeyIQHRUOSDBAXDKA-QGZVFWFLSA-N
MW300.48 g/mol
LogP5.27
Rot. Bonds15

About methyl (2R)-2-methoxyhexadecanoate

methyl (2R)-2-methoxyhexadecanoate (PubChem CID 11781573) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is methyl (2R)-2-methoxyhexadecanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methoxyhexadecanoate
PubChem CID11781573
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Namemethyl (2R)-2-methoxyhexadecanoate
SMILESCCCCCCCCCCCCCC[C@@H](OC)C(=O)OC
InChIInChI=1S/C18H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h17H,4-16H2,1-3H3/t17-/m1/s1
InChIKeyIQHRUOSDBAXDKA-QGZVFWFLSA-N
XLogP5.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.27
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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Related Compounds

Isopropyl Myristate
CID 8042
Tricaprylin
CID 10850
Isopropyl Palmitate
CID 8907
Tricaprin
CID 69310
Tripalmitin
CID 11147
Trilaurin
CID 10851
Tristearin
CID 11146
Triheptanoin
CID 69286
Glyceryl Tribehenate
CID 62726
Trimyristin
CID 11148
Propylene Glycol Dipelargonate
CID 38855
Triarachidin
CID 522017

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methoxyhexadecanoate?
The IUPAC name of methyl (2R)-2-methoxyhexadecanoate (CID 11781573) is methyl (2R)-2-methoxyhexadecanoate.
What is the SMILES notation for methyl (2R)-2-methoxyhexadecanoate?
The canonical SMILES for methyl (2R)-2-methoxyhexadecanoate is CCCCCCCCCCCCCC[C@@H](OC)C(=O)OC.
What is the InChIKey of methyl (2R)-2-methoxyhexadecanoate?
The InChIKey is IQHRUOSDBAXDKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h17H,4-16H2,1-3H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-methoxyhexadecanoate?
methyl (2R)-2-methoxyhexadecanoate has a molecular weight of 300.48 g/mol, XLogP of 5.27, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methoxyhexadecanoate is sourced from PubChem (CID 11781573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).