hexadecyl hexadecanoate

C32H64O2 — CID 10889

IUPAChexadecyl hexadecanoate
SMILESCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyPXDJXZJSCPSGGI-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.49
Rot. Bonds29

About hexadecyl hexadecanoate

hexadecyl hexadecanoate (PubChem CID 10889) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is hexadecyl hexadecanoate.

Molecular Properties

Compound Namehexadecyl hexadecanoate
PubChem CID10889
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Namehexadecyl hexadecanoate
SMILESCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyPXDJXZJSCPSGGI-UHFFFAOYSA-N
XLogP11.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 hexadecyl hexadecanoate?
The IUPAC name of hexadecyl hexadecanoate (CID 10889) is hexadecyl hexadecanoate.
What is the SMILES notation for hexadecyl hexadecanoate?
The canonical SMILES for hexadecyl hexadecanoate is CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of hexadecyl hexadecanoate?
The InChIKey is PXDJXZJSCPSGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of hexadecyl hexadecanoate?
hexadecyl hexadecanoate has a molecular weight of 480.86 g/mol, XLogP of 11.49, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl hexadecanoate is sourced from PubChem (CID 10889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).