4-methyl-4-tetradecyl-1,3-oxazolidine

C18H37NO — CID 66910784

IUPAC4-methyl-4-tetradecyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCCCC1(C)COCN1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-20-17-19-18/h19H,3-17H2,1-2H3
InChIKeyKPYYGJDMTAKNDL-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.41
Rot. Bonds13

About 4-methyl-4-tetradecyl-1,3-oxazolidine

4-methyl-4-tetradecyl-1,3-oxazolidine (PubChem CID 66910784) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-methyl-4-tetradecyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-methyl-4-tetradecyl-1,3-oxazolidine
PubChem CID66910784
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-methyl-4-tetradecyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCCCC1(C)COCN1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-20-17-19-18/h19H,3-17H2,1-2H3
InChIKeyKPYYGJDMTAKNDL-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.41
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

4-dodecyl-4-methyl-1,3-oxazolidine
CID 66910716
4,4-dioctyl-1,3-oxazolidine
CID 66910759
4-octyl-4-propyl-1,3-oxazolidine
CID 66910736
4-ethyl-4-methyl-1,3-oxazolidine
CID 66630148
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
3-methyl-3-octyloxetane
CID 162658167
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-methyl-2-pentyloxirane
CID 559073
4,4-dimethyl-1,3-oxazolidine;undecanoic acid
CID 139301512
4-methyl-1-octadecyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 129036209

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-tetradecyl-1,3-oxazolidine?
The IUPAC name of 4-methyl-4-tetradecyl-1,3-oxazolidine (CID 66910784) is 4-methyl-4-tetradecyl-1,3-oxazolidine.
What is the SMILES notation for 4-methyl-4-tetradecyl-1,3-oxazolidine?
The canonical SMILES for 4-methyl-4-tetradecyl-1,3-oxazolidine is CCCCCCCCCCCCCCC1(C)COCN1.
What is the InChIKey of 4-methyl-4-tetradecyl-1,3-oxazolidine?
The InChIKey is KPYYGJDMTAKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-20-17-19-18/h19H,3-17H2,1-2H3.
What are the key properties of 4-methyl-4-tetradecyl-1,3-oxazolidine?
4-methyl-4-tetradecyl-1,3-oxazolidine has a molecular weight of 283.50 g/mol, XLogP of 5.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-tetradecyl-1,3-oxazolidine is sourced from PubChem (CID 66910784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).