[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate

C14H24Cl3NO3 — CID 134870589

IUPAC[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/O[C@@H](/C=C(/C)CC)[C@@H](OCOC)C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C14H24Cl3NO3/c1-6-10(4)7-11(21-13(18)14(15,16)17)12(9(2)3)20-8-19-5/h7,9,11-12,18H,6,8H2,1-5H3/b10-7-,18-13+/t11-,12-/m0/s1
InChIKeyDEGMIMGCHNVIMF-BSMCLKQRSA-N
MW360.71 g/mol
LogP4.72
Rot. Bonds8

About [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate

[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate (PubChem CID 134870589) has the molecular formula C14H24Cl3NO3 and a molecular weight of 360.71 g/mol. Its IUPAC name is [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate
PubChem CID134870589
Molecular FormulaC14H24Cl3NO3
Molecular Weight360.71 g/mol
Exact Mass359.08
IUPAC Name[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/O[C@@H](/C=C(/C)CC)[C@@H](OCOC)C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C14H24Cl3NO3/c1-6-10(4)7-11(21-13(18)14(15,16)17)12(9(2)3)20-8-19-5/h7,9,11-12,18H,6,8H2,1-5H3/b10-7-,18-13+/t11-,12-/m0/s1
InChIKeyDEGMIMGCHNVIMF-BSMCLKQRSA-N
XLogP4.72
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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': '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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 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,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-yl] 2,2,2-trichloroethanimidate
CID 11784067
[(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethyl] 2,2,2-trichloroethanimidate
CID 11811051
[(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-enyl] 2,2,2-trichloroethanimidate
CID 15738403
[(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
[(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,2R,3S)-1-(methoxymethoxy)-2-methylnon-4-en-3-yl] 2,2,2-trichloroethanimidate
CID 15384815
[(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
[(2R,3S,6S)-6-methoxy-2,4-dimethyl-3,6-dihydro-2H-pyran-3-yl] 2,2,2-trichloroethanimidate
CID 23254145
[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-enyl] 2,2,2-trichloroethanimidate
CID 60203593

Frequently Asked Questions

What is the IUPAC name of [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate (CID 134870589) is [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate is [H]/N=C(/O[C@@H](/C=C(/C)CC)[C@@H](OCOC)C(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate?
The InChIKey is DEGMIMGCHNVIMF-BSMCLKQRSA-N. The full InChI is InChI=1S/C14H24Cl3NO3/c1-6-10(4)7-11(21-13(18)14(15,16)17)12(9(2)3)20-8-19-5/h7,9,11-12,18H,6,8H2,1-5H3/b10-7-,18-13+/t11-,12-/m0/s1.
What are the key properties of [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate?
[(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate has a molecular weight of 360.71 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-yl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 134870589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).