2-octacosoxyoxane

C33H66O2 — CID 11214102

IUPAC2-octacosoxyoxane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31-34-33-30-27-29-32-35-33/h33H,2-32H2,1H3
InChIKeyLTMYCYBUOBRBMW-UHFFFAOYSA-N
MW494.89 g/mol
LogP11.69
Rot. Bonds28

About 2-octacosoxyoxane

2-octacosoxyoxane (PubChem CID 11214102) has the molecular formula C33H66O2 and a molecular weight of 494.89 g/mol. Its IUPAC name is 2-octacosoxyoxane.

Molecular Properties

Compound Name2-octacosoxyoxane
PubChem CID11214102
Molecular FormulaC33H66O2
Molecular Weight494.89 g/mol
Exact Mass494.51
IUPAC Name2-octacosoxyoxane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31-34-33-30-27-29-32-35-33/h33H,2-32H2,1H3
InChIKeyLTMYCYBUOBRBMW-UHFFFAOYSA-N
XLogP11.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 511.69
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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Related Compounds

(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-(10-bromotetradecoxy)oxane
CID 23365986
2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
CID 10688292
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
2-(12-bromododecoxy)oxane
CID 11078592

Frequently Asked Questions

What is the IUPAC name of 2-octacosoxyoxane?
The IUPAC name of 2-octacosoxyoxane (CID 11214102) is 2-octacosoxyoxane.
What is the SMILES notation for 2-octacosoxyoxane?
The canonical SMILES for 2-octacosoxyoxane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-octacosoxyoxane?
The InChIKey is LTMYCYBUOBRBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31-34-33-30-27-29-32-35-33/h33H,2-32H2,1H3.
What are the key properties of 2-octacosoxyoxane?
2-octacosoxyoxane has a molecular weight of 494.89 g/mol, XLogP of 11.69, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octacosoxyoxane is sourced from PubChem (CID 11214102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).