4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one

C15H24O2 — CID 5374651

IUPAC4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one
SMILESC/C(=C\C1CC(=O)O1)CC/C=C(\C)CC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)8-12(3)6-5-7-13(4)9-14-10-15(16)17-14/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-6+,13-9+
InChIKeyORDKFPCMUNXMSK-IWFZMGPQSA-N
MW236.36 g/mol
LogP4.02
Rot. Bonds6

About 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one

4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one (PubChem CID 5374651) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one.

Molecular Properties

Compound Name4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one
PubChem CID5374651
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one
SMILESC/C(=C\C1CC(=O)O1)CC/C=C(\C)CC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)8-12(3)6-5-7-13(4)9-14-10-15(16)17-14/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-6+,13-9+
InChIKeyORDKFPCMUNXMSK-IWFZMGPQSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Neryl isovalerate
CID 6429039
Geranyl 2-methylbutyrate
CID 6437648
Geranyl isovalerate
CID 5362830
Geranyl acetoacetate
CID 5956805
Neryl 2-methylbutanoate
CID 6429034
Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
CID 19802
(E)-3,7-Dimethyl-2,6-octadienyl 3-oxobutanoate
CID 54611954
2,7-Dimethylocta-2,6-dienyl 3-methylbutanoate
CID 163013696
[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
CID 76966091
[(E,4S,5R,8R)-4,6,8-trimethyl-3-oxoundec-6-en-5-yl] propanoate
CID 163021824
Neryl (s)-2-methylbutanoate
CID 76966090
3,7-dimethylocta-2,6-dienyl (2S)-2-methylbutanoate
CID 91416966

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one?
The IUPAC name of 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one (CID 5374651) is 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one.
What is the SMILES notation for 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one?
The canonical SMILES for 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one is C/C(=C\C1CC(=O)O1)CC/C=C(\C)CC(C)C.
What is the InChIKey of 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one?
The InChIKey is ORDKFPCMUNXMSK-IWFZMGPQSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)8-12(3)6-5-7-13(4)9-14-10-15(16)17-14/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-6+,13-9+.
What are the key properties of 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one?
4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one has a molecular weight of 236.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,5E)-2,6,8-trimethylnona-1,5-dienyl]oxetan-2-one is sourced from PubChem (CID 5374651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).