2-[(15S)-15-methylpentacosoxy]oxane

C31H62O2 — CID 71379039

IUPAC2-[(15S)-15-methylpentacosoxy]oxane
SMILESCCCCCCCCCC[C@H](C)CCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C31H62O2/c1-3-4-5-6-7-14-17-20-25-30(2)26-21-18-15-12-10-8-9-11-13-16-19-23-28-32-31-27-22-24-29-33-31/h30-31H,3-29H2,1-2H3/t30-,31?/m0/s1
InChIKeyULUWGBWPSYBHEL-FSRLHOSWSA-N
MW466.84 g/mol
LogP10.77
Rot. Bonds25

About 2-[(15S)-15-methylpentacosoxy]oxane

2-[(15S)-15-methylpentacosoxy]oxane (PubChem CID 71379039) has the molecular formula C31H62O2 and a molecular weight of 466.84 g/mol. Its IUPAC name is 2-[(15S)-15-methylpentacosoxy]oxane.

Molecular Properties

Compound Name2-[(15S)-15-methylpentacosoxy]oxane
PubChem CID71379039
Molecular FormulaC31H62O2
Molecular Weight466.84 g/mol
Exact Mass466.47
IUPAC Name2-[(15S)-15-methylpentacosoxy]oxane
SMILESCCCCCCCCCC[C@H](C)CCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C31H62O2/c1-3-4-5-6-7-14-17-20-25-30(2)26-21-18-15-12-10-8-9-11-13-16-19-23-28-32-31-27-22-24-29-33-31/h30-31H,3-29H2,1-2H3/t30-,31?/m0/s1
InChIKeyULUWGBWPSYBHEL-FSRLHOSWSA-N
XLogP10.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 510.77
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

2-octacosoxyoxane
CID 11214102
2-(6-methylheptoxy)oxane
CID 139685112
2-(10-bromotetradecoxy)oxane
CID 23365986
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
CID 10469994
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
CID 125494842
(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-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-(3-methylpentoxy)oxane
CID 14309360

Frequently Asked Questions

What is the IUPAC name of 2-[(15S)-15-methylpentacosoxy]oxane?
The IUPAC name of 2-[(15S)-15-methylpentacosoxy]oxane (CID 71379039) is 2-[(15S)-15-methylpentacosoxy]oxane.
What is the SMILES notation for 2-[(15S)-15-methylpentacosoxy]oxane?
The canonical SMILES for 2-[(15S)-15-methylpentacosoxy]oxane is CCCCCCCCCC[C@H](C)CCCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(15S)-15-methylpentacosoxy]oxane?
The InChIKey is ULUWGBWPSYBHEL-FSRLHOSWSA-N. The full InChI is InChI=1S/C31H62O2/c1-3-4-5-6-7-14-17-20-25-30(2)26-21-18-15-12-10-8-9-11-13-16-19-23-28-32-31-27-22-24-29-33-31/h30-31H,3-29H2,1-2H3/t30-,31?/m0/s1.
What are the key properties of 2-[(15S)-15-methylpentacosoxy]oxane?
2-[(15S)-15-methylpentacosoxy]oxane has a molecular weight of 466.84 g/mol, XLogP of 10.77, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(15S)-15-methylpentacosoxy]oxane is sourced from PubChem (CID 71379039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).