1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one

C18H32N2O2 — CID 170645890

IUPAC1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one
SMILESCCCCCC(CCCC)OCC(=O)CCCn1ccnc1
InChIInChI=1S/C18H32N2O2/c1-3-5-7-11-18(10-6-4-2)22-15-17(21)9-8-13-20-14-12-19-16-20/h12,14,16,18H,3-11,13,15H2,1-2H3
InChIKeyAAGBSLVSSAHJEL-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.39
Rot. Bonds14

About 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one

1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one (PubChem CID 170645890) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one.

Molecular Properties

Compound Name1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one
PubChem CID170645890
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one
SMILESCCCCCC(CCCC)OCC(=O)CCCn1ccnc1
InChIInChI=1S/C18H32N2O2/c1-3-5-7-11-18(10-6-4-2)22-15-17(21)9-8-13-20-14-12-19-16-20/h12,14,16,18H,3-11,13,15H2,1-2H3
InChIKeyAAGBSLVSSAHJEL-UHFFFAOYSA-N
XLogP4.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
carbonic acid;1-dodecylimidazole
CID 175596781
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
acetic acid;1-decylimidazole
CID 175546754
N-(8-heptadecan-9-yloxyoctyl)-N-(3-imidazol-1-ylpropyl)nonan-1-amine
CID 146179962
1-nonylimidazole;hydrobromide
CID 175434544
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251

Frequently Asked Questions

What is the IUPAC name of 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one?
The IUPAC name of 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one (CID 170645890) is 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one.
What is the SMILES notation for 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one?
The canonical SMILES for 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one is CCCCCC(CCCC)OCC(=O)CCCn1ccnc1.
What is the InChIKey of 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one?
The InChIKey is AAGBSLVSSAHJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-5-7-11-18(10-6-4-2)22-15-17(21)9-8-13-20-14-12-19-16-20/h12,14,16,18H,3-11,13,15H2,1-2H3.
What are the key properties of 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one?
1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one has a molecular weight of 308.47 g/mol, XLogP of 4.39, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-5-yloxy-5-imidazol-1-ylpentan-2-one is sourced from PubChem (CID 170645890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).