4-ethyl-2,2-dipentyl-1,3-oxazolidine

C15H31NO — CID 139237408

IUPAC4-ethyl-2,2-dipentyl-1,3-oxazolidine
SMILESCCCCCC1(CCCCC)NC(CC)CO1
InChIInChI=1S/C15H31NO/c1-4-7-9-11-15(12-10-8-5-2)16-14(6-3)13-17-15/h14,16H,4-13H2,1-3H3
InChIKeyPXJOFCGHTLJRSP-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.24
Rot. Bonds9

About 4-ethyl-2,2-dipentyl-1,3-oxazolidine

4-ethyl-2,2-dipentyl-1,3-oxazolidine (PubChem CID 139237408) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-ethyl-2,2-dipentyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-2,2-dipentyl-1,3-oxazolidine
PubChem CID139237408
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-ethyl-2,2-dipentyl-1,3-oxazolidine
SMILESCCCCCC1(CCCCC)NC(CC)CO1
InChIInChI=1S/C15H31NO/c1-4-7-9-11-15(12-10-8-5-2)16-14(6-3)13-17-15/h14,16H,4-13H2,1-3H3
InChIKeyPXJOFCGHTLJRSP-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Oxa-4-azaspiro[4.5]decane
CID 278559
Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
Spiro(cyclohexane-1,2'-oxazolidine), 3-methyl-
CID 3053135
2-(Oxan-2-yl)pyrrolidine
CID 81148237
2-Hexyl-oxazolidine
CID 20403390
2-Hexyl-2-methyl-1,3-oxazolidine
CID 278947
2-Methyl-2-pentyl-1,3-oxazolidine
CID 278948
4,4-Dimethyl-2-pentyl-1,3-oxazolidine
CID 337255
3-Ethyl-1-oxa-4-azaspiro[4.5]decane
CID 12668045
2,2,4-Triethyl-1,3-oxazolidine
CID 278504
(4R)-4-ethyl-2-pentyl-1,3-oxazolidine
CID 10607282
4-Ethyl-2-methyl-2-propyl-1,3-oxazolidine
CID 139237407

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
The IUPAC name of 4-ethyl-2,2-dipentyl-1,3-oxazolidine (CID 139237408) is 4-ethyl-2,2-dipentyl-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-2,2-dipentyl-1,3-oxazolidine is CCCCCC1(CCCCC)NC(CC)CO1.
What is the InChIKey of 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
The InChIKey is PXJOFCGHTLJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-9-11-15(12-10-8-5-2)16-14(6-3)13-17-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
4-ethyl-2,2-dipentyl-1,3-oxazolidine has a molecular weight of 241.42 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dipentyl-1,3-oxazolidine is sourced from PubChem (CID 139237408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).