4,4-dioctyl-1,3-oxazolidine

C19H39NO — CID 66910759

IUPAC4,4-dioctyl-1,3-oxazolidine
SMILESCCCCCCCCC1(CCCCCCCC)COCN1
InChIInChI=1S/C19H39NO/c1-3-5-7-9-11-13-15-19(17-21-18-20-19)16-14-12-10-8-6-4-2/h20H,3-18H2,1-2H3
InChIKeyRRKSPHSIEFPVPE-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.80
Rot. Bonds14

About 4,4-dioctyl-1,3-oxazolidine

4,4-dioctyl-1,3-oxazolidine (PubChem CID 66910759) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4,4-dioctyl-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dioctyl-1,3-oxazolidine
PubChem CID66910759
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4,4-dioctyl-1,3-oxazolidine
SMILESCCCCCCCCC1(CCCCCCCC)COCN1
InChIInChI=1S/C19H39NO/c1-3-5-7-9-11-13-15-19(17-21-18-20-19)16-14-12-10-8-6-4-2/h20H,3-18H2,1-2H3
InChIKeyRRKSPHSIEFPVPE-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-octyl-4-propyl-1,3-oxazolidine
CID 66910736
4-dodecyl-4-methyl-1,3-oxazolidine
CID 66910716
4-methyl-4-tetradecyl-1,3-oxazolidine
CID 66910784
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-butyl-2-hexylpyrrolidine
CID 174534205
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
3-methyl-3-octyloxetane
CID 162658167
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
2-hexadecyl-2-tetradecyloxirane
CID 71421731
3-ethyl-3-octyldioxirane
CID 89239410

Frequently Asked Questions

What is the IUPAC name of 4,4-dioctyl-1,3-oxazolidine?
The IUPAC name of 4,4-dioctyl-1,3-oxazolidine (CID 66910759) is 4,4-dioctyl-1,3-oxazolidine.
What is the SMILES notation for 4,4-dioctyl-1,3-oxazolidine?
The canonical SMILES for 4,4-dioctyl-1,3-oxazolidine is CCCCCCCCC1(CCCCCCCC)COCN1.
What is the InChIKey of 4,4-dioctyl-1,3-oxazolidine?
The InChIKey is RRKSPHSIEFPVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-3-5-7-9-11-13-15-19(17-21-18-20-19)16-14-12-10-8-6-4-2/h20H,3-18H2,1-2H3.
What are the key properties of 4,4-dioctyl-1,3-oxazolidine?
4,4-dioctyl-1,3-oxazolidine has a molecular weight of 297.53 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dioctyl-1,3-oxazolidine is sourced from PubChem (CID 66910759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).