(E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one

C15H25NO5 — CID 11130328

IUPAC(E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one
SMILESCC(=O)CCC/C(=C\CCCOC1CCCCO1)[N+](=O)[O-]
InChIInChI=1S/C15H25NO5/c1-13(17)7-6-9-14(16(18)19)8-2-4-11-20-15-10-3-5-12-21-15/h8,15H,2-7,9-12H2,1H3/b14-8+
InChIKeyIYOGJXLTXOOCSM-RIYZIHGNSA-N
MW299.37 g/mol
LogP3.23
Rot. Bonds10

About (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one

(E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one (PubChem CID 11130328) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one.

Molecular Properties

Compound Name(E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one
PubChem CID11130328
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one
SMILESCC(=O)CCC/C(=C\CCCOC1CCCCO1)[N+](=O)[O-]
InChIInChI=1S/C15H25NO5/c1-13(17)7-6-9-14(16(18)19)8-2-4-11-20-15-10-3-5-12-21-15/h8,15H,2-7,9-12H2,1H3/b14-8+
InChIKeyIYOGJXLTXOOCSM-RIYZIHGNSA-N
XLogP3.23
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-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

(E)-6-nitro-10-(oxan-2-yloxy)undec-6-en-2-one
CID 10969026
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-(3-nitropropoxy)oxane
CID 13425358
2-[(E)-5-iodopent-4-enoxy]oxane
CID 11140994
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane
CID 102410963
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-(2-nitroethoxy)oxane
CID 3748656
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429

Frequently Asked Questions

What is the IUPAC name of (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one?
The IUPAC name of (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one (CID 11130328) is (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one.
What is the SMILES notation for (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one?
The canonical SMILES for (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one is CC(=O)CCC/C(=C\CCCOC1CCCCO1)[N+](=O)[O-].
What is the InChIKey of (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one?
The InChIKey is IYOGJXLTXOOCSM-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H25NO5/c1-13(17)7-6-9-14(16(18)19)8-2-4-11-20-15-10-3-5-12-21-15/h8,15H,2-7,9-12H2,1H3/b14-8+.
What are the key properties of (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one?
(E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-nitro-10-(oxan-2-yloxy)dec-6-en-2-one is sourced from PubChem (CID 11130328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).