[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate

C12H18Cl3NO — CID 101452296

IUPAC[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C/CCCCCC=C)C(Cl)(Cl)Cl
InChIInChI=1S/C12H18Cl3NO/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h2,8-9,16H,1,3-7,10H2/b9-8+,16-11-
InChIKeyOLYOJDSFQVTJSY-UVBRKHIMSA-N
MW298.64 g/mol
LogP5.04
Rot. Bonds8

About [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate

[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate (PubChem CID 101452296) has the molecular formula C12H18Cl3NO and a molecular weight of 298.64 g/mol. Its IUPAC name is [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate
PubChem CID101452296
Molecular FormulaC12H18Cl3NO
Molecular Weight298.64 g/mol
Exact Mass297.05
IUPAC Name[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C/CCCCCC=C)C(Cl)(Cl)Cl
InChIInChI=1S/C12H18Cl3NO/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h2,8-9,16H,1,3-7,10H2/b9-8+,16-11-
InChIKeyOLYOJDSFQVTJSY-UVBRKHIMSA-N
XLogP5.04
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.64
LogP ≤ 55.04
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)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate with MolForge

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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
[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
[(2E)-octa-2,7-dienyl] 2,2,2-trichloroethanimidate
CID 11737322
[(E)-hex-2-enyl] 2,2,2-trichloroethanimidate
CID 13225934
[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 134896774
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2,2,2-trichloroethanimidate
CID 54603178
3-Cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate
CID 54351412
Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester
CID 316897
[(E,4R)-4-methyloct-2-enyl] 2,2,2-trichloroethanimidate
CID 11346712

Frequently Asked Questions

What is the IUPAC name of [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate (CID 101452296) is [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate is [H]/N=C(\OC/C=C/CCCCCC=C)C(Cl)(Cl)Cl.
What is the InChIKey of [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate?
The InChIKey is OLYOJDSFQVTJSY-UVBRKHIMSA-N. The full InChI is InChI=1S/C12H18Cl3NO/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h2,8-9,16H,1,3-7,10H2/b9-8+,16-11-.
What are the key properties of [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate?
[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate has a molecular weight of 298.64 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 101452296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).