1-acetyloxyethyl hexadecanoate

C20H38O4 — CID 165389523

IUPAC1-acetyloxyethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)OC(C)=O
InChIInChI=1S/C20H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)24-19(3)23-18(2)21/h19H,4-17H2,1-3H3
InChIKeyUPEIWHJLGIJHBK-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.92
Rot. Bonds16

About 1-acetyloxyethyl hexadecanoate

1-acetyloxyethyl hexadecanoate (PubChem CID 165389523) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 1-acetyloxyethyl hexadecanoate.

Molecular Properties

Compound Name1-acetyloxyethyl hexadecanoate
PubChem CID165389523
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name1-acetyloxyethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)OC(C)=O
InChIInChI=1S/C20H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)24-19(3)23-18(2)21/h19H,4-17H2,1-3H3
InChIKeyUPEIWHJLGIJHBK-UHFFFAOYSA-N
XLogP5.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-methoxyethyl hexadecanoate
CID 20514386
1-acetyloxydecyl heptanoate
CID 87914473
4-hexadecanoyloxypentan-2-yl octadecanoate
CID 86056824
1-acetyloxypropan-2-yl decanoate
CID 150997925
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
octatriacontan-2-yl dodecanoate
CID 174214599
henicosan-2-yl hexadecanoate
CID 87097147
heptadecan-2-yl tetradecanoate
CID 54293612
pentan-2-yl tetradecanoate
CID 18676710
pentan-2-yl octadecanoate
CID 22644362
1-hydroxypropan-2-yl henicosanoate
CID 102118706

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl hexadecanoate?
The IUPAC name of 1-acetyloxyethyl hexadecanoate (CID 165389523) is 1-acetyloxyethyl hexadecanoate.
What is the SMILES notation for 1-acetyloxyethyl hexadecanoate?
The canonical SMILES for 1-acetyloxyethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC(C)OC(C)=O.
What is the InChIKey of 1-acetyloxyethyl hexadecanoate?
The InChIKey is UPEIWHJLGIJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)24-19(3)23-18(2)21/h19H,4-17H2,1-3H3.
What are the key properties of 1-acetyloxyethyl hexadecanoate?
1-acetyloxyethyl hexadecanoate has a molecular weight of 342.52 g/mol, XLogP of 5.92, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl hexadecanoate is sourced from PubChem (CID 165389523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).