[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate

C11H16Cl3NO — CID 23729528

IUPAC[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C/CCCCC=C)C(Cl)(Cl)Cl
InChIInChI=1S/C11H16Cl3NO/c1-2-3-4-5-6-7-8-9-16-10(15)11(12,13)14/h2,7-8,15H,1,3-6,9H2/b8-7+,15-10-
InChIKeyKAJVUPDNKPNKII-XDOICYCNSA-N
MW284.61 g/mol
LogP4.65
Rot. Bonds7

About [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate

[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate (PubChem CID 23729528) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate
PubChem CID23729528
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C/CCCCC=C)C(Cl)(Cl)Cl
InChIInChI=1S/C11H16Cl3NO/c1-2-3-4-5-6-7-8-9-16-10(15)11(12,13)14/h2,7-8,15H,1,3-6,9H2/b8-7+,15-10-
InChIKeyKAJVUPDNKPNKII-XDOICYCNSA-N
XLogP4.65
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate 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

[(Z)-dec-2-enyl] 2,2,2-trichloroethanimidate
CID 44604394
[(E)-3-cyclohexylprop-2-enyl] 2,2,2-trichloroethanimidate
CID 11358086
Cyclohex-2-en-1-yl 2,2,2-trichloroethanimidate
CID 13225936
[(E)-4,4-dimethylpent-2-enyl] 2,2,2-trichloroethanimidate
CID 21469216
[2,2,2-trichloro-1-[(2E)-3,7-dimethyl-octa-2,6-dienoxy]-ethylidene]-amine
CID 5781583
[(Z)-hex-2-enyl] 2,2,2-trichloroethanimidate
CID 11345570
[(E)-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
CID 11448297
[(2E)-octa-2,7-dienyl] 2,2,2-trichloroethanimidate
CID 11737322
[(E)-hex-2-enyl] 2,2,2-trichloroethanimidate
CID 13225934
[(Z)-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
CID 101759823
[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 134896774
[(E)-hex-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 5841784

Frequently Asked Questions

What is the IUPAC name of [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate (CID 23729528) is [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate is [H]/N=C(\OC/C=C/CCCCC=C)C(Cl)(Cl)Cl.
What is the InChIKey of [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate?
The InChIKey is KAJVUPDNKPNKII-XDOICYCNSA-N. The full InChI is InChI=1S/C11H16Cl3NO/c1-2-3-4-5-6-7-8-9-16-10(15)11(12,13)14/h2,7-8,15H,1,3-6,9H2/b8-7+,15-10-.
What are the key properties of [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate?
[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate has a molecular weight of 284.61 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 23729528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).