[(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate

C10H16Cl3NO2 — CID 45100942

IUPAC[(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C\C(OC)C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl3NO2/c1-7(2)8(15-3)5-4-6-16-9(14)10(11,12)13/h4-5,7-8,14H,6H2,1-3H3/b5-4-,14-9-
InChIKeyMACRHNINQLWEDZ-ZKVDUQTKSA-N
MW288.60 g/mol
LogP3.58
Rot. Bonds5

About [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate

[(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate (PubChem CID 45100942) has the molecular formula C10H16Cl3NO2 and a molecular weight of 288.60 g/mol. Its IUPAC name is [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
PubChem CID45100942
Molecular FormulaC10H16Cl3NO2
Molecular Weight288.60 g/mol
Exact Mass287.02
IUPAC Name[(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C\C(OC)C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl3NO2/c1-7(2)8(15-3)5-4-6-16-9(14)10(11,12)13/h4-5,7-8,14H,6H2,1-3H3/b5-4-,14-9-
InChIKeyMACRHNINQLWEDZ-ZKVDUQTKSA-N
XLogP3.58
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[(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
[(E)-hex-2-enyl] 2,2,2-trichloroethanimidate
CID 13225934
[(E,4R)-4-(methoxymethoxy)hex-2-enyl] 2,2,2-trichloroethanimidate
CID 16128126
[(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
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2,2,2-trichloroethanimidate
CID 54603178
4,4-Dimethylpent-2-en-1-yl 2,2,2-trichloroethanimidate
CID 53943033
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl] 2,2,2-trichloroethanimidate
CID 142032927

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate (CID 45100942) is [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate is [H]/N=C(\OC/C=C\C(OC)C(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate?
The InChIKey is MACRHNINQLWEDZ-ZKVDUQTKSA-N. The full InChI is InChI=1S/C10H16Cl3NO2/c1-7(2)8(15-3)5-4-6-16-9(14)10(11,12)13/h4-5,7-8,14H,6H2,1-3H3/b5-4-,14-9-.
What are the key properties of [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate?
[(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate has a molecular weight of 288.60 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methoxy-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 45100942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).