6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate

C10H14Cl3NO — CID 134977276

IUPAC6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OCC=C=CCC(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C10H14Cl3NO/c1-8(2)6-4-3-5-7-15-9(14)10(11,12)13/h4-5,8,14H,6-7H2,1-2H3/b14-9-
InChIKeyHMWIXPBAUBGDBW-ZROIWOOFSA-N
MW270.59 g/mol
LogP4.11
Rot. Bonds4

About 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate

6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate (PubChem CID 134977276) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate
PubChem CID134977276
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OCC=C=CCC(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C10H14Cl3NO/c1-8(2)6-4-3-5-7-15-9(14)10(11,12)13/h4-5,8,14H,6-7H2,1-2H3/b14-9-
InChIKeyHMWIXPBAUBGDBW-ZROIWOOFSA-N
XLogP4.11
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 54.11
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'}

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Related Compounds

[(E)-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
CID 11448297
[(Z)-5-methylhex-2-enyl] 2,2,2-trichloroethanimidate
CID 101759823
4,4-Dimethylpent-1-en-3-yl 2,2,2-trichloroethanimidate
CID 10491468
4-Methylpent-1-en-3-yl 2,2,2-trichloroethanimidate
CID 10681771
5-Methylhex-2-en-1-yl 2,2,2-trichloroethanimidate
CID 71399246
[(3S)-5-methylhex-1-en-3-yl] 2,2,2-trichloroethanimidate
CID 101363377
5-Methylhex-1-en-3-yl 2,2,2-trichloroethanimidate
CID 102141505

Frequently Asked Questions

What is the IUPAC name of 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate?
The IUPAC name of 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate (CID 134977276) is 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate.
What is the SMILES notation for 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate?
The canonical SMILES for 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate is [H]/N=C(\OCC=C=CCC(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate?
The InChIKey is HMWIXPBAUBGDBW-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H14Cl3NO/c1-8(2)6-4-3-5-7-15-9(14)10(11,12)13/h4-5,8,14H,6-7H2,1-2H3/b14-9-.
What are the key properties of 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate?
6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate has a molecular weight of 270.59 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhepta-2,3-dienyl 2,2,2-trichloroethanimidate is sourced from PubChem (CID 134977276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).