5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one

C12H19NO2 — CID 89425896

IUPAC5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESCCCCCC=C=CC1NC(=O)OC1C
InChIInChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-11-10(2)15-12(14)13-11/h7,9-11H,3-6H2,1-2H3,(H,13,14)
InChIKeyUAFCRHWOGMPJSG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.77
Rot. Bonds5

About 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one

5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one (PubChem CID 89425896) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one
PubChem CID89425896
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESCCCCCC=C=CC1NC(=O)OC1C
InChIInChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-11-10(2)15-12(14)13-11/h7,9-11H,3-6H2,1-2H3,(H,13,14)
InChIKeyUAFCRHWOGMPJSG-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.77
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

(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 130984881
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 641518
dodeca-2,3-dienal
CID 11810769
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
tetradeca-2,3-dienal
CID 25179784
2-[(4S,5R)-2-oxo-5-[(E)-pentadec-1-enyl]-1,3-oxazolidin-4-yl]acetonitrile
CID 11325121
dodeca-3,4-diene
CID 91492112
pentadeca-1,4,5-triene
CID 174394424
3-oct-1-enyloxiran-2-one
CID 90850629
(4R,5R)-4-(fluoromethyl)-5-[(E)-pentadec-1-enyl]-1,3-oxazolidin-2-one
CID 58743259

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one (CID 89425896) is 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one is CCCCCC=C=CC1NC(=O)OC1C.
What is the InChIKey of 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one?
The InChIKey is UAFCRHWOGMPJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-11-10(2)15-12(14)13-11/h7,9-11H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one?
5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89425896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).