4-hexadecan-5-yloxyhexadecane

C32H66O — CID 57069400

IUPAC4-hexadecan-5-yloxyhexadecane
SMILESCCCCCCCCCCCCC(CCC)OC(CCCC)CCCCCCCCCCC
InChIInChI=1S/C32H66O/c1-5-9-12-14-16-18-20-22-23-25-29-31(27-8-4)33-32(28-11-7-3)30-26-24-21-19-17-15-13-10-6-2/h31-32H,5-30H2,1-4H3
InChIKeyDFVGUKHPIRUFHO-UHFFFAOYSA-N
MW466.88 g/mol
LogP11.96
Rot. Bonds28

About 4-hexadecan-5-yloxyhexadecane

4-hexadecan-5-yloxyhexadecane (PubChem CID 57069400) has the molecular formula C32H66O and a molecular weight of 466.88 g/mol. Its IUPAC name is 4-hexadecan-5-yloxyhexadecane.

Molecular Properties

Compound Name4-hexadecan-5-yloxyhexadecane
PubChem CID57069400
Molecular FormulaC32H66O
Molecular Weight466.88 g/mol
Exact Mass466.51
IUPAC Name4-hexadecan-5-yloxyhexadecane
SMILESCCCCCCCCCCCCC(CCC)OC(CCCC)CCCCCCCCCCC
InChIInChI=1S/C32H66O/c1-5-9-12-14-16-18-20-22-23-25-29-31(27-8-4)33-32(28-11-7-3)30-26-24-21-19-17-15-13-10-6-2/h31-32H,5-30H2,1-4H3
InChIKeyDFVGUKHPIRUFHO-UHFFFAOYSA-N
XLogP11.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hexadecan-5-yloxyhexadecane?
The IUPAC name of 4-hexadecan-5-yloxyhexadecane (CID 57069400) is 4-hexadecan-5-yloxyhexadecane.
What is the SMILES notation for 4-hexadecan-5-yloxyhexadecane?
The canonical SMILES for 4-hexadecan-5-yloxyhexadecane is CCCCCCCCCCCCC(CCC)OC(CCCC)CCCCCCCCCCC.
What is the InChIKey of 4-hexadecan-5-yloxyhexadecane?
The InChIKey is DFVGUKHPIRUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O/c1-5-9-12-14-16-18-20-22-23-25-29-31(27-8-4)33-32(28-11-7-3)30-26-24-21-19-17-15-13-10-6-2/h31-32H,5-30H2,1-4H3.
What are the key properties of 4-hexadecan-5-yloxyhexadecane?
4-hexadecan-5-yloxyhexadecane has a molecular weight of 466.88 g/mol, XLogP of 11.96, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecan-5-yloxyhexadecane is sourced from PubChem (CID 57069400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).