3-(heptoxymethyl)-1,3-oxazolidine

C11H23NO2 — CID 164576923

IUPAC3-(heptoxymethyl)-1,3-oxazolidine
SMILESCCCCCCCOCN1CCOC1
InChIInChI=1S/C11H23NO2/c1-2-3-4-5-6-8-13-10-12-7-9-14-11-12/h2-11H2,1H3
InChIKeyGJIQTWSUFVHJOM-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds8

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

3-(heptoxymethyl)-1,3-oxazolidine (PubChem CID 164576923) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(heptoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(heptoxymethyl)-1,3-oxazolidine
PubChem CID164576923
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(heptoxymethyl)-1,3-oxazolidine
SMILESCCCCCCCOCN1CCOC1
InChIInChI=1S/C11H23NO2/c1-2-3-4-5-6-8-13-10-12-7-9-14-11-12/h2-11H2,1H3
InChIKeyGJIQTWSUFVHJOM-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
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

3-(Butoxymethyl)-1,3-oxazolidine
CID 14496315
2-hexyl-N-butyloxazolidine
CID 12885787
3-[(Pentyloxy)methyl]-1,3-oxazolidine
CID 164576907
3-[(Hexyloxy)methyl]-1,3-oxazolidine
CID 164576911
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
3-Ethyl-2-hexyl-1,3-oxazolidine
CID 247376
2-Hexyl-3-methyl-1,3-oxazolidine
CID 11974086
2-heptoxy-N,N-dimethylethanamine
CID 14330631
3-(2-Octoxyethyl)-1,3-oxazolidine
CID 68113659

Frequently Asked Questions

What is the IUPAC name of 3-(heptoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(heptoxymethyl)-1,3-oxazolidine (CID 164576923) is 3-(heptoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(heptoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(heptoxymethyl)-1,3-oxazolidine is CCCCCCCOCN1CCOC1.
What is the InChIKey of 3-(heptoxymethyl)-1,3-oxazolidine?
The InChIKey is GJIQTWSUFVHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-4-5-6-8-13-10-12-7-9-14-11-12/h2-11H2,1H3.
What are the key properties of 3-(heptoxymethyl)-1,3-oxazolidine?
3-(heptoxymethyl)-1,3-oxazolidine has a molecular weight of 201.31 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 164576923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).