3-ethyl-2-octyl-1,3-oxazolidine

C13H27NO — CID 22996835

IUPAC3-ethyl-2-octyl-1,3-oxazolidine
SMILESCCCCCCCCC1OCCN1CC
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-13-14(4-2)11-12-15-13/h13H,3-12H2,1-2H3
InChIKeyKSDVZNMGAWKSRW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.42
Rot. Bonds8

About 3-ethyl-2-octyl-1,3-oxazolidine

3-ethyl-2-octyl-1,3-oxazolidine (PubChem CID 22996835) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethyl-2-octyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-ethyl-2-octyl-1,3-oxazolidine
PubChem CID22996835
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethyl-2-octyl-1,3-oxazolidine
SMILESCCCCCCCCC1OCCN1CC
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-13-14(4-2)11-12-15-13/h13H,3-12H2,1-2H3
InChIKeyKSDVZNMGAWKSRW-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxazolidine, 3-butyl-2-(1-ethylpentyl)-
CID 3297025
1-(2-(Dodecyloxy)ethyl)pyrrolidine
CID 169651
1-(2-(Dodecyloxy)ethyl)pyrrolidine hydrochloride
CID 169650
4,4-Dimethyl-1-oxa-4-azoniaspiro[4.5]decane
CID 773833
2-Heptyl-3-methyl-1,3-oxazolidine
CID 21596985
4-Methyl-1-oxa-4-azaspiro[4.5]decane
CID 13556145
2-hexyl-N-butyloxazolidine
CID 12885787
2-Methyl-2-hexyl-3-(beta-hydroxyethyl)-1,3-oxazolidin
CID 129762203
3-[(Octyloxy)methyl]-1,3-oxazolidine
CID 164576930
3-[(Nonyloxy)methyl]-1,3-oxazolidine
CID 164576944
3-[(Decyloxy)methyl]-1,3-oxazolidine
CID 164576948
3-[(Undecyloxy)methyl]-1,3-oxazolidine
CID 164576959

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-octyl-1,3-oxazolidine?
The IUPAC name of 3-ethyl-2-octyl-1,3-oxazolidine (CID 22996835) is 3-ethyl-2-octyl-1,3-oxazolidine.
What is the SMILES notation for 3-ethyl-2-octyl-1,3-oxazolidine?
The canonical SMILES for 3-ethyl-2-octyl-1,3-oxazolidine is CCCCCCCCC1OCCN1CC.
What is the InChIKey of 3-ethyl-2-octyl-1,3-oxazolidine?
The InChIKey is KSDVZNMGAWKSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-13-14(4-2)11-12-15-13/h13H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-2-octyl-1,3-oxazolidine?
3-ethyl-2-octyl-1,3-oxazolidine has a molecular weight of 213.36 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-octyl-1,3-oxazolidine is sourced from PubChem (CID 22996835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).