2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine

C24H47NO3 — CID 169439127

IUPAC2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCCC1(CCCC2OCCO2)NC(C)(C)CO1
InChIInChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-24(25-23(2,3)21-28-24)18-15-16-22-26-19-20-27-22/h22,25H,4-21H2,1-3H3
InChIKeyGPCPRPRMZBLYGG-UHFFFAOYSA-N
MW397.64 g/mol
LogP6.33
Rot. Bonds16

About 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine

2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine (PubChem CID 169439127) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine
PubChem CID169439127
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCCC1(CCCC2OCCO2)NC(C)(C)CO1
InChIInChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-24(25-23(2,3)21-28-24)18-15-16-22-26-19-20-27-22/h22,25H,4-21H2,1-3H3
InChIKeyGPCPRPRMZBLYGG-UHFFFAOYSA-N
XLogP6.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine 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-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine?
The IUPAC name of 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine (CID 169439127) is 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine.
What is the SMILES notation for 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine?
The canonical SMILES for 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine is CCCCCCCCCCCCCC1(CCCC2OCCO2)NC(C)(C)CO1.
What is the InChIKey of 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine?
The InChIKey is GPCPRPRMZBLYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-24(25-23(2,3)21-28-24)18-15-16-22-26-19-20-27-22/h22,25H,4-21H2,1-3H3.
What are the key properties of 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine?
2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine has a molecular weight of 397.64 g/mol, XLogP of 6.33, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine is sourced from PubChem (CID 169439127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).