1-dec-1-enyl-3,7-dimethylpurine-2,6-dione

C17H26N4O2 — CID 57255078

IUPAC1-dec-1-enyl-3,7-dimethylpurine-2,6-dione
SMILESCCCCCCCCC=Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C17H26N4O2/c1-4-5-6-7-8-9-10-11-12-21-16(22)14-15(18-13-19(14)2)20(3)17(21)23/h11-13H,4-10H2,1-3H3
InChIKeyMDYOMFPUGMFLOX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.65
Rot. Bonds8

About 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione

1-dec-1-enyl-3,7-dimethylpurine-2,6-dione (PubChem CID 57255078) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name1-dec-1-enyl-3,7-dimethylpurine-2,6-dione
PubChem CID57255078
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-dec-1-enyl-3,7-dimethylpurine-2,6-dione
SMILESCCCCCCCCC=Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C17H26N4O2/c1-4-5-6-7-8-9-10-11-12-21-16(22)14-15(18-13-19(14)2)20(3)17(21)23/h11-13H,4-10H2,1-3H3
InChIKeyMDYOMFPUGMFLOX-UHFFFAOYSA-N
XLogP2.65
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-1-non-6-enylpurine-2,6-dione
CID 54050333
(Z)-but-2-enedioic acid;1-hexyl-3,7-dimethylpurine-2,6-dione
CID 175477848
3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione
CID 18004844
11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanal
CID 54527415
1-[(1S)-1-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione
CID 70232671
1-(1-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione
CID 21187322
3,7-dimethyl-1-(1-octoxyundecyl)purine-2,6-dione
CID 67779862
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
diethyl 2-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]-2-undecylpropanedioate
CID 18975572
3,7-dimethyl-1-non-8-enylpurine-2,6-dione;ethoxyethane
CID 18694216
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
magnesium;3,7-dimethyl-2-oxopurin-6-olate;(Z)-octadec-10-enoate
CID 6433486

Frequently Asked Questions

What is the IUPAC name of 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione (CID 57255078) is 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione is CCCCCCCCC=Cn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione?
The InChIKey is MDYOMFPUGMFLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-5-6-7-8-9-10-11-12-21-16(22)14-15(18-13-19(14)2)20(3)17(21)23/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione?
1-dec-1-enyl-3,7-dimethylpurine-2,6-dione has a molecular weight of 318.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-enyl-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 57255078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).