2-[10-(3-phenylpropoxy)decoxy]oxane

C24H40O3 — CID 164615846

IUPAC2-[10-(3-phenylpropoxy)decoxy]oxane
SMILESc1ccc(CCCOCCCCCCCCCCOC2CCCCO2)cc1
InChIInChI=1S/C24H40O3/c1(2-4-6-12-21-26-24-18-10-13-22-27-24)3-5-11-19-25-20-14-17-23-15-8-7-9-16-23/h7-9,15-16,24H,1-6,10-14,17-22H2
InChIKeyVZFAVOTVOCWRFS-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.30
Rot. Bonds16

About 2-[10-(3-phenylpropoxy)decoxy]oxane

2-[10-(3-phenylpropoxy)decoxy]oxane (PubChem CID 164615846) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-[10-(3-phenylpropoxy)decoxy]oxane.

Molecular Properties

Compound Name2-[10-(3-phenylpropoxy)decoxy]oxane
PubChem CID164615846
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name2-[10-(3-phenylpropoxy)decoxy]oxane
SMILESc1ccc(CCCOCCCCCCCCCCOC2CCCCO2)cc1
InChIInChI=1S/C24H40O3/c1(2-4-6-12-21-26-24-18-10-13-22-27-24)3-5-11-19-25-20-14-17-23-15-8-7-9-16-23/h7-9,15-16,24H,1-6,10-14,17-22H2
InChIKeyVZFAVOTVOCWRFS-UHFFFAOYSA-N
XLogP6.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[10-(3-phenylpropoxy)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

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3-phenylpropoxy)decoxy]oxane?
The IUPAC name of 2-[10-(3-phenylpropoxy)decoxy]oxane (CID 164615846) is 2-[10-(3-phenylpropoxy)decoxy]oxane.
What is the SMILES notation for 2-[10-(3-phenylpropoxy)decoxy]oxane?
The canonical SMILES for 2-[10-(3-phenylpropoxy)decoxy]oxane is c1ccc(CCCOCCCCCCCCCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[10-(3-phenylpropoxy)decoxy]oxane?
The InChIKey is VZFAVOTVOCWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1(2-4-6-12-21-26-24-18-10-13-22-27-24)3-5-11-19-25-20-14-17-23-15-8-7-9-16-23/h7-9,15-16,24H,1-6,10-14,17-22H2.
What are the key properties of 2-[10-(3-phenylpropoxy)decoxy]oxane?
2-[10-(3-phenylpropoxy)decoxy]oxane has a molecular weight of 376.58 g/mol, XLogP of 6.30, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3-phenylpropoxy)decoxy]oxane is sourced from PubChem (CID 164615846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).