4,4-dimethyl-1,3-oxazolidine;undecanoic acid

C16H33NO3 — CID 139301512

IUPAC4,4-dimethyl-1,3-oxazolidine;undecanoic acid
SMILESCC1(C)COCN1.CCCCCCCCCCC(=O)O
InChIInChI=1S/C11H22O2.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(2)3-7-4-6-5/h2-10H2,1H3,(H,12,13);6H,3-4H2,1-2H3
InChIKeyRCUKWMOGIAVCCS-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.94
Rot. Bonds9

About 4,4-dimethyl-1,3-oxazolidine;undecanoic acid

4,4-dimethyl-1,3-oxazolidine;undecanoic acid (PubChem CID 139301512) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-oxazolidine;undecanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-1,3-oxazolidine;undecanoic acid
PubChem CID139301512
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name4,4-dimethyl-1,3-oxazolidine;undecanoic acid
SMILESCC1(C)COCN1.CCCCCCCCCCC(=O)O
InChIInChI=1S/C11H22O2.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(2)3-7-4-6-5/h2-10H2,1H3,(H,12,13);6H,3-4H2,1-2H3
InChIKeyRCUKWMOGIAVCCS-UHFFFAOYSA-N
XLogP3.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexanoic acid;oxirane
CID 159231946
acetic acid;decanoic acid
CID 159015360
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-oxazolidine;undecanoic acid?
The IUPAC name of 4,4-dimethyl-1,3-oxazolidine;undecanoic acid (CID 139301512) is 4,4-dimethyl-1,3-oxazolidine;undecanoic acid.
What is the SMILES notation for 4,4-dimethyl-1,3-oxazolidine;undecanoic acid?
The canonical SMILES for 4,4-dimethyl-1,3-oxazolidine;undecanoic acid is CC1(C)COCN1.CCCCCCCCCCC(=O)O.
What is the InChIKey of 4,4-dimethyl-1,3-oxazolidine;undecanoic acid?
The InChIKey is RCUKWMOGIAVCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(2)3-7-4-6-5/h2-10H2,1H3,(H,12,13);6H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,3-oxazolidine;undecanoic acid?
4,4-dimethyl-1,3-oxazolidine;undecanoic acid has a molecular weight of 287.44 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-oxazolidine;undecanoic acid is sourced from PubChem (CID 139301512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).