[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate

C17H26Cl3NO — CID 102210011

IUPAC[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C17H26Cl3NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-22-16(21)17(18,19)20/h7,9,11,21H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+,21-16-
InChIKeyRSKGHYPRFHXITH-NAKIYFMUSA-N
MW366.76 g/mol
LogP6.77
Rot. Bonds8

About [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate (PubChem CID 102210011) has the molecular formula C17H26Cl3NO and a molecular weight of 366.76 g/mol. Its IUPAC name is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate
PubChem CID102210011
Molecular FormulaC17H26Cl3NO
Molecular Weight366.76 g/mol
Exact Mass365.11
IUPAC Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C17H26Cl3NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-22-16(21)17(18,19)20/h7,9,11,21H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+,21-16-
InChIKeyRSKGHYPRFHXITH-NAKIYFMUSA-N
XLogP6.77
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.76
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate with MolForge

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Related Compounds

[(Z)-dec-2-enyl] 2,2,2-trichloroethanimidate
CID 44604394
[(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
[(2E)-octa-2,7-dienyl] 2,2,2-trichloroethanimidate
CID 11737322
[(E)-hex-2-enyl] 2,2,2-trichloroethanimidate
CID 13225934
[(Z)-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
CID 101759823
[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 134896774
[(E)-3-[(1R)-4-methylcyclohex-3-en-1-yl]but-2-enyl] 2,2,2-trichloroethanimidate
CID 135037993
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2,2,2-trichloroethanimidate
CID 54603178
[(2E,4E)-4-methylhexa-2,4-dienyl] 2,2,2-trichloroethanimidate
CID 21469204

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate (CID 102210011) is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate is [H]/N=C(\OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate?
The InChIKey is RSKGHYPRFHXITH-NAKIYFMUSA-N. The full InChI is InChI=1S/C17H26Cl3NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-22-16(21)17(18,19)20/h7,9,11,21H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+,21-16-.
What are the key properties of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate?
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate has a molecular weight of 366.76 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 102210011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).