2,2,4-trimethyl-3-pentyl-1,3-oxazolidine

C11H23NO — CID 174478299

IUPAC2,2,4-trimethyl-3-pentyl-1,3-oxazolidine
SMILESCCCCCN1C(C)COC1(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-8-12-10(2)9-13-11(12,3)4/h10H,5-9H2,1-4H3
InChIKeyRUOOVZFGLXPTMM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.63
Rot. Bonds4

About 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine

2,2,4-trimethyl-3-pentyl-1,3-oxazolidine (PubChem CID 174478299) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2,4-trimethyl-3-pentyl-1,3-oxazolidine
PubChem CID174478299
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,2,4-trimethyl-3-pentyl-1,3-oxazolidine
SMILESCCCCCN1C(C)COC1(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-8-12-10(2)9-13-11(12,3)4/h10H,5-9H2,1-4H3
InChIKeyRUOOVZFGLXPTMM-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.63
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

1-heptyl-2-methylaziridine
CID 142378837
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine
CID 130396669
methyl (4R)-3-hexadecanoyl-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
CID 46205456
1-hexyl-2,6-dimethylpiperidine
CID 6428887
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine
CID 67808161
tert-butyl (4S)-4-[(1R,2R)-1,2-dihydroxyhexadecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11004992
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139997641
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
2-(bromomethyl)-4-heptyl-5-methylmorpholine
CID 81209581

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine?
The IUPAC name of 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine (CID 174478299) is 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine.
What is the SMILES notation for 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine?
The canonical SMILES for 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine is CCCCCN1C(C)COC1(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine?
The InChIKey is RUOOVZFGLXPTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-8-12-10(2)9-13-11(12,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine?
2,2,4-trimethyl-3-pentyl-1,3-oxazolidine has a molecular weight of 185.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-pentyl-1,3-oxazolidine is sourced from PubChem (CID 174478299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).