3-(hexoxymethyl)-1,3-oxazolidine

C10H21NO2 — CID 164576911

IUPAC3-(hexoxymethyl)-1,3-oxazolidine
SMILESCCCCCCOCN1CCOC1
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-7-12-9-11-6-8-13-10-11/h2-10H2,1H3
InChIKeyVVDBJOIFJIKFOO-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds7

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

3-(hexoxymethyl)-1,3-oxazolidine (PubChem CID 164576911) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(hexoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(hexoxymethyl)-1,3-oxazolidine
PubChem CID164576911
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(hexoxymethyl)-1,3-oxazolidine
SMILESCCCCCCOCN1CCOC1
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-7-12-9-11-6-8-13-10-11/h2-10H2,1H3
InChIKeyVVDBJOIFJIKFOO-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(hexoxymethyl)-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

3-(Butoxymethyl)-1,3-oxazolidine
CID 14496315
3-[(Pentyloxy)methyl]-1,3-oxazolidine
CID 164576907
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
3-[(Undecyloxy)methyl]-1,3-oxazolidine
CID 164576959
3-(2-Octoxyethyl)-1,3-oxazolidine
CID 68113659
1-(2-Hexoxyethyl)pyrrolidine
CID 68590096
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
3-Methyl-2-pentyl-1,3-oxazolidine
CID 86199391

Frequently Asked Questions

What is the IUPAC name of 3-(hexoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(hexoxymethyl)-1,3-oxazolidine (CID 164576911) is 3-(hexoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(hexoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(hexoxymethyl)-1,3-oxazolidine is CCCCCCOCN1CCOC1.
What is the InChIKey of 3-(hexoxymethyl)-1,3-oxazolidine?
The InChIKey is VVDBJOIFJIKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-4-5-7-12-9-11-6-8-13-10-11/h2-10H2,1H3.
What are the key properties of 3-(hexoxymethyl)-1,3-oxazolidine?
3-(hexoxymethyl)-1,3-oxazolidine has a molecular weight of 187.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 164576911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).