2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane

C22H40O2 — CID 10688292

IUPAC2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
SMILESCCCCC1=C(CCCCCCCCCCOC2CCCCO2)C1
InChIInChI=1S/C22H40O2/c1-2-3-14-20-19-21(20)15-10-8-6-4-5-7-9-12-17-23-22-16-11-13-18-24-22/h22H,2-19H2,1H3
InChIKeyFTDLBSPEHOBTQX-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.93
Rot. Bonds15

About 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane

2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane (PubChem CID 10688292) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane.

Molecular Properties

Compound Name2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
PubChem CID10688292
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
SMILESCCCCC1=C(CCCCCCCCCCOC2CCCCO2)C1
InChIInChI=1S/C22H40O2/c1-2-3-14-20-19-21(20)15-10-8-6-4-5-7-9-12-17-23-22-16-11-13-18-24-22/h22H,2-19H2,1H3
InChIKeyFTDLBSPEHOBTQX-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octacosoxyoxane
CID 11214102
(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-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-(10-bromotetradecoxy)oxane
CID 23365986
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-(12-bromododecoxy)oxane
CID 11078592
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-[(E)-dec-3-enoxy]oxane
CID 15649194

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane?
The IUPAC name of 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane (CID 10688292) is 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane.
What is the SMILES notation for 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane?
The canonical SMILES for 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane is CCCCC1=C(CCCCCCCCCCOC2CCCCO2)C1.
What is the InChIKey of 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane?
The InChIKey is FTDLBSPEHOBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-2-3-14-20-19-21(20)15-10-8-6-4-5-7-9-12-17-23-22-16-11-13-18-24-22/h22H,2-19H2,1H3.
What are the key properties of 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane?
2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane has a molecular weight of 336.56 g/mol, XLogP of 6.93, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane is sourced from PubChem (CID 10688292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).