2-hexyl-3-methyl-1,3-oxazolidine

C10H21NO — CID 11974086

IUPAC2-hexyl-3-methyl-1,3-oxazolidine
SMILESCCCCCCC1OCCN1C
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-10-11(2)8-9-12-10/h10H,3-9H2,1-2H3
InChIKeyPGHRKGICVWYVSO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.24
Rot. Bonds5

About 2-hexyl-3-methyl-1,3-oxazolidine

2-hexyl-3-methyl-1,3-oxazolidine (PubChem CID 11974086) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-hexyl-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-hexyl-3-methyl-1,3-oxazolidine
PubChem CID11974086
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-hexyl-3-methyl-1,3-oxazolidine
SMILESCCCCCCC1OCCN1C
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-10-11(2)8-9-12-10/h10H,3-9H2,1-2H3
InChIKeyPGHRKGICVWYVSO-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.24
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
(2R)-2-heptyl-3-methyl-1,3-oxazolidine
CID 641510
4-Methyl-1-oxa-4-azaspiro[4.5]decane
CID 13556145
2-Hexyl-oxazolidine
CID 20403390
2-hexyl-N-butyloxazolidine
CID 12885787
2-Methyl-2-hexyl-3-(beta-hydroxyethyl)-1,3-oxazolidin
CID 129762203
3-[(Heptyloxy)methyl]-1,3-oxazolidine
CID 164576923
1-(2-Dodecoxyethyl)pyrrolidine;hydron;chloride
CID 92039673

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-methyl-1,3-oxazolidine?
The IUPAC name of 2-hexyl-3-methyl-1,3-oxazolidine (CID 11974086) is 2-hexyl-3-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-hexyl-3-methyl-1,3-oxazolidine?
The canonical SMILES for 2-hexyl-3-methyl-1,3-oxazolidine is CCCCCCC1OCCN1C.
What is the InChIKey of 2-hexyl-3-methyl-1,3-oxazolidine?
The InChIKey is PGHRKGICVWYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-10-11(2)8-9-12-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-hexyl-3-methyl-1,3-oxazolidine?
2-hexyl-3-methyl-1,3-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 11974086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).