2-(8-methylhexacosoxy)oxane

C32H64O2 — CID 135072287

IUPAC2-(8-methylhexacosoxy)oxane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCCCOC1CCCCO1
InChIInChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-31(2)27-22-19-17-20-24-29-33-32-28-23-25-30-34-32/h31-32H,3-30H2,1-2H3
InChIKeyLXBPIEXIBORHQI-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.16
Rot. Bonds26

About 2-(8-methylhexacosoxy)oxane

2-(8-methylhexacosoxy)oxane (PubChem CID 135072287) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is 2-(8-methylhexacosoxy)oxane.

Molecular Properties

Compound Name2-(8-methylhexacosoxy)oxane
PubChem CID135072287
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Name2-(8-methylhexacosoxy)oxane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCCCOC1CCCCO1
InChIInChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-31(2)27-22-19-17-20-24-29-33-32-28-23-25-30-34-32/h31-32H,3-30H2,1-2H3
InChIKeyLXBPIEXIBORHQI-UHFFFAOYSA-N
XLogP11.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 511.16
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 2-(8-methylhexacosoxy)oxane?
The IUPAC name of 2-(8-methylhexacosoxy)oxane (CID 135072287) is 2-(8-methylhexacosoxy)oxane.
What is the SMILES notation for 2-(8-methylhexacosoxy)oxane?
The canonical SMILES for 2-(8-methylhexacosoxy)oxane is CCCCCCCCCCCCCCCCCCC(C)CCCCCCCOC1CCCCO1.
What is the InChIKey of 2-(8-methylhexacosoxy)oxane?
The InChIKey is LXBPIEXIBORHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-31(2)27-22-19-17-20-24-29-33-32-28-23-25-30-34-32/h31-32H,3-30H2,1-2H3.
What are the key properties of 2-(8-methylhexacosoxy)oxane?
2-(8-methylhexacosoxy)oxane has a molecular weight of 480.86 g/mol, XLogP of 11.16, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylhexacosoxy)oxane is sourced from PubChem (CID 135072287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).