1-methoxyethyl hexadecanoate

C19H38O3 — CID 20514386

IUPAC1-methoxyethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)OC
InChIInChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)22-18(2)21-3/h18H,4-17H2,1-3H3
InChIKeyQUWBNHHMVNNDMO-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.00
Rot. Bonds16

About 1-methoxyethyl hexadecanoate

1-methoxyethyl hexadecanoate (PubChem CID 20514386) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1-methoxyethyl hexadecanoate.

Molecular Properties

Compound Name1-methoxyethyl hexadecanoate
PubChem CID20514386
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name1-methoxyethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)OC
InChIInChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)22-18(2)21-3/h18H,4-17H2,1-3H3
InChIKeyQUWBNHHMVNNDMO-UHFFFAOYSA-N
XLogP6.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
1-acetyloxyethyl hexadecanoate
CID 165389523
6-(1-methoxyethoxy)-6-oxohexanoic acid
CID 87368895
propan-2-yl undecanoate
CID 3016538
1-methoxyethyl icosa-5,8,11,14-tetraenoate
CID 173105709
1-formyloxyethyl octanoate
CID 174953888
1-hydroxyethyl hexadecanoate
CID 87454687
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
1-hydroxyethyl decanoate
CID 176884014
1-methoxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 87479246
1-methoxypropyl octadecanoate
CID 20514350
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl hexadecanoate?
The IUPAC name of 1-methoxyethyl hexadecanoate (CID 20514386) is 1-methoxyethyl hexadecanoate.
What is the SMILES notation for 1-methoxyethyl hexadecanoate?
The canonical SMILES for 1-methoxyethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl hexadecanoate?
The InChIKey is QUWBNHHMVNNDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)22-18(2)21-3/h18H,4-17H2,1-3H3.
What are the key properties of 1-methoxyethyl hexadecanoate?
1-methoxyethyl hexadecanoate has a molecular weight of 314.51 g/mol, XLogP of 6.00, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl hexadecanoate is sourced from PubChem (CID 20514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).