3-(undecoxymethyl)-1,3-oxazolidine

C15H31NO2 — CID 164576959

IUPAC3-(undecoxymethyl)-1,3-oxazolidine
SMILESCCCCCCCCCCCOCN1CCOC1
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-12-17-14-16-11-13-18-15-16/h2-15H2,1H3
InChIKeyCMLOGYQPFIDRJM-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.78
Rot. Bonds12

About 3-(undecoxymethyl)-1,3-oxazolidine

3-(undecoxymethyl)-1,3-oxazolidine (PubChem CID 164576959) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(undecoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(undecoxymethyl)-1,3-oxazolidine
PubChem CID164576959
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-(undecoxymethyl)-1,3-oxazolidine
SMILESCCCCCCCCCCCOCN1CCOC1
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-12-17-14-16-11-13-18-15-16/h2-15H2,1H3
InChIKeyCMLOGYQPFIDRJM-UHFFFAOYSA-N
XLogP3.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Heptyl-3-methyl-1,3-oxazolidine
CID 21596985
(2R)-2-heptyl-3-methyl-1,3-oxazolidine
CID 641510
3-[(Pentyloxy)methyl]-1,3-oxazolidine
CID 164576907
3-[(Hexyloxy)methyl]-1,3-oxazolidine
CID 164576911
3-[(Heptyloxy)methyl]-1,3-oxazolidine
CID 164576923
3-[(Octyloxy)methyl]-1,3-oxazolidine
CID 164576930
3-[(Nonyloxy)methyl]-1,3-oxazolidine
CID 164576944
3-[(Decyloxy)methyl]-1,3-oxazolidine
CID 164576948
2-decoxy-N,N-dimethylethanamine
CID 14389663
N,N-dimethyl-2-nonoxyethanamine
CID 15544777
N,N-dimethyl-2-octoxyethanamine
CID 21540565
3-Ethyl-2-octyl-1,3-oxazolidine
CID 22996835

Frequently Asked Questions

What is the IUPAC name of 3-(undecoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(undecoxymethyl)-1,3-oxazolidine (CID 164576959) is 3-(undecoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(undecoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(undecoxymethyl)-1,3-oxazolidine is CCCCCCCCCCCOCN1CCOC1.
What is the InChIKey of 3-(undecoxymethyl)-1,3-oxazolidine?
The InChIKey is CMLOGYQPFIDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-12-17-14-16-11-13-18-15-16/h2-15H2,1H3.
What are the key properties of 3-(undecoxymethyl)-1,3-oxazolidine?
3-(undecoxymethyl)-1,3-oxazolidine has a molecular weight of 257.42 g/mol, XLogP of 3.78, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(undecoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 164576959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).