[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate

C10H16Cl3NO — CID 134896774

IUPAC[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC(C)/C=C/CCCC)C(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl3NO/c1-3-4-5-6-7-8(2)15-9(14)10(11,12)13/h6-8,14H,3-5H2,1-2H3/b7-6+,14-9-
InChIKeyCFUGRFCHFSIIBN-XQZMZFSGSA-N
MW272.60 g/mol
LogP4.49
Rot. Bonds5

About [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate

[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate (PubChem CID 134896774) has the molecular formula C10H16Cl3NO and a molecular weight of 272.60 g/mol. Its IUPAC name is [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
PubChem CID134896774
Molecular FormulaC10H16Cl3NO
Molecular Weight272.60 g/mol
Exact Mass271.03
IUPAC Name[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC(C)/C=C/CCCC)C(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl3NO/c1-3-4-5-6-7-8(2)15-9(14)10(11,12)13/h6-8,14H,3-5H2,1-2H3/b7-6+,14-9-
InChIKeyCFUGRFCHFSIIBN-XQZMZFSGSA-N
XLogP4.49
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.60
LogP ≤ 54.49
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'}

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Related Compounds

hept-1-en-3-yl 2,2,2-trichloroethanimidate
CID 102380856
methyl [(E)-oct-3-en-2-yl] carbonate
CID 14170336
[(E,2S)-oct-3-en-2-yl] but-2-ynoate
CID 102214690
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
[(E,3S)-4-[(S)-(4-methylphenyl)sulfinyl]non-4-en-3-yl] 2,2,2-trichloroethanimidate
CID 154723300
oct-3-en-2-yl phenyl carbonate
CID 150709874
(E)-hept-2-ene-1,1-diol
CID 87660901
1,1-dichlorohept-2-ene
CID 87443085
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate
CID 101134026
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E)-3-methylnon-4-ene
CID 13082837

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate (CID 134896774) is [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate is [H]/N=C(\OC(C)/C=C/CCCC)C(Cl)(Cl)Cl.
What is the InChIKey of [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate?
The InChIKey is CFUGRFCHFSIIBN-XQZMZFSGSA-N. The full InChI is InChI=1S/C10H16Cl3NO/c1-3-4-5-6-7-8(2)15-9(14)10(11,12)13/h6-8,14H,3-5H2,1-2H3/b7-6+,14-9-.
What are the key properties of [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate?
[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate has a molecular weight of 272.60 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 134896774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).