[(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate

C14H24Cl3NO3 — CID 15384815

IUPAC[(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/O[C@@H](/C=C\CCCC)[C@H](C)COCOC)C(Cl)(Cl)Cl
InChIInChI=1S/C14H24Cl3NO3/c1-4-5-6-7-8-12(11(2)9-20-10-19-3)21-13(18)14(15,16)17/h7-8,11-12,18H,4-6,9-10H2,1-3H3/b8-7-,18-13+/t11-,12+/m1/s1
InChIKeyMGVQJDDVPGAVJG-CFJAKQDFSA-N
MW360.71 g/mol
LogP4.72
Rot. Bonds10

About [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate

[(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate (PubChem CID 15384815) has the molecular formula C14H24Cl3NO3 and a molecular weight of 360.71 g/mol. Its IUPAC name is [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate
PubChem CID15384815
Molecular FormulaC14H24Cl3NO3
Molecular Weight360.71 g/mol
Exact Mass359.08
IUPAC Name[(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/O[C@@H](/C=C\CCCC)[C@H](C)COCOC)C(Cl)(Cl)Cl
InChIInChI=1S/C14H24Cl3NO3/c1-4-5-6-7-8-12(11(2)9-20-10-19-3)21-13(18)14(15,16)17/h7-8,11-12,18H,4-6,9-10H2,1-3H3/b8-7-,18-13+/t11-,12+/m1/s1
InChIKeyMGVQJDDVPGAVJG-CFJAKQDFSA-N
XLogP4.72
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E,4S)-4-(methoxymethoxy)pent-2-enyl] 2,2,2-trichloroethanimidate
CID 11346828
[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-yl] 2,2,2-trichloroethanimidate
CID 11784067
[(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-enyl] 2,2,2-trichloroethanimidate
CID 15738403
[(E,4R)-4-(methoxymethoxy)hex-2-enyl] 2,2,2-trichloroethanimidate
CID 16128126
[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate
CID 134870589
[(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-yl] 2,2,2-trichloroethanimidate
CID 134870602
[(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-enyl] 2,2,2-trichloroethanimidate
CID 135048094
[(1R,4S)-4-butoxycyclopent-2-en-1-yl] 2,2,2-trichloroethanimidate
CID 176784720
[(Z,3R,4S)-3-(methoxymethoxymethyl)-2-methyldec-5-en-4-yl] 2,2,2-trichloroethanimidate
CID 11090391
[(E,4S)-4-(methoxymethoxy)-6-methylhept-2-enyl] 2,2,2-trichloroethanimidate
CID 11695668
[(Z,4R,5S)-4-(methoxymethoxymethyl)-2,9-dimethyldec-6-en-5-yl] 2,2,2-trichloroethanimidate
CID 15384821
[(E,4S,5R)-5-(methoxymethoxy)-4-methylhex-2-enyl] 2,2,2-trichloroethanimidate
CID 16091128

Frequently Asked Questions

What is the IUPAC name of [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate (CID 15384815) is [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate is [H]/N=C(/O[C@@H](/C=C\CCCC)[C@H](C)COCOC)C(Cl)(Cl)Cl.
What is the InChIKey of [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate?
The InChIKey is MGVQJDDVPGAVJG-CFJAKQDFSA-N. The full InChI is InChI=1S/C14H24Cl3NO3/c1-4-5-6-7-8-12(11(2)9-20-10-19-3)21-13(18)14(15,16)17/h7-8,11-12,18H,4-6,9-10H2,1-3H3/b8-7-,18-13+/t11-,12+/m1/s1.
What are the key properties of [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate?
[(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate has a molecular weight of 360.71 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 15384815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).