4-octyl-4-propyl-1,3-oxazolidine

C14H29NO — CID 66910736

IUPAC4-octyl-4-propyl-1,3-oxazolidine
SMILESCCCCCCCCC1(CCC)COCN1
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-9-11-14(10-4-2)12-16-13-15-14/h15H,3-13H2,1-2H3
InChIKeyDRJKHNUYXNUBFZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds9

About 4-octyl-4-propyl-1,3-oxazolidine

4-octyl-4-propyl-1,3-oxazolidine (PubChem CID 66910736) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-octyl-4-propyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-octyl-4-propyl-1,3-oxazolidine
PubChem CID66910736
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-octyl-4-propyl-1,3-oxazolidine
SMILESCCCCCCCCC1(CCC)COCN1
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-9-11-14(10-4-2)12-16-13-15-14/h15H,3-13H2,1-2H3
InChIKeyDRJKHNUYXNUBFZ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-octyl-4-propyl-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

Related Compounds

4,4-dioctyl-1,3-oxazolidine
CID 66910759
4-methyl-4-tetradecyl-1,3-oxazolidine
CID 66910784
4-dodecyl-4-methyl-1,3-oxazolidine
CID 66910716
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-butyl-2-hexylpyrrolidine
CID 174534205
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
3-methyl-3-octyloxetane
CID 162658167
2-hexyl-2-propyloxirane
CID 139691135
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423

Frequently Asked Questions

What is the IUPAC name of 4-octyl-4-propyl-1,3-oxazolidine?
The IUPAC name of 4-octyl-4-propyl-1,3-oxazolidine (CID 66910736) is 4-octyl-4-propyl-1,3-oxazolidine.
What is the SMILES notation for 4-octyl-4-propyl-1,3-oxazolidine?
The canonical SMILES for 4-octyl-4-propyl-1,3-oxazolidine is CCCCCCCCC1(CCC)COCN1.
What is the InChIKey of 4-octyl-4-propyl-1,3-oxazolidine?
The InChIKey is DRJKHNUYXNUBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-7-8-9-11-14(10-4-2)12-16-13-15-14/h15H,3-13H2,1-2H3.
What are the key properties of 4-octyl-4-propyl-1,3-oxazolidine?
4-octyl-4-propyl-1,3-oxazolidine has a molecular weight of 227.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-4-propyl-1,3-oxazolidine is sourced from PubChem (CID 66910736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).