4-dodecyl-4-methyl-1,3-oxazolidine

C16H33NO — CID 66910716

IUPAC4-dodecyl-4-methyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCC1(C)COCN1
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-18-15-17-16/h17H,3-15H2,1-2H3
InChIKeyIHTSCEWRXSKLGG-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.63
Rot. Bonds11

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

4-dodecyl-4-methyl-1,3-oxazolidine (PubChem CID 66910716) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-dodecyl-4-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-dodecyl-4-methyl-1,3-oxazolidine
PubChem CID66910716
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-dodecyl-4-methyl-1,3-oxazolidine
SMILESCCCCCCCCCCCCC1(C)COCN1
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-18-15-17-16/h17H,3-15H2,1-2H3
InChIKeyIHTSCEWRXSKLGG-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.63
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-methyl-4-tetradecyl-1,3-oxazolidine
CID 66910784
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-dodecyl-4-methyl-1,3-oxazolidine?
The IUPAC name of 4-dodecyl-4-methyl-1,3-oxazolidine (CID 66910716) is 4-dodecyl-4-methyl-1,3-oxazolidine.
What is the SMILES notation for 4-dodecyl-4-methyl-1,3-oxazolidine?
The canonical SMILES for 4-dodecyl-4-methyl-1,3-oxazolidine is CCCCCCCCCCCCC1(C)COCN1.
What is the InChIKey of 4-dodecyl-4-methyl-1,3-oxazolidine?
The InChIKey is IHTSCEWRXSKLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-18-15-17-16/h17H,3-15H2,1-2H3.
What are the key properties of 4-dodecyl-4-methyl-1,3-oxazolidine?
4-dodecyl-4-methyl-1,3-oxazolidine has a molecular weight of 255.45 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-4-methyl-1,3-oxazolidine is sourced from PubChem (CID 66910716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).