2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate

C17H23Cl2NO4 — CID 173216470

IUPAC2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate
SMILESCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCOC(C)=NO
InChIInChI=1S/C17H23Cl2NO4/c1-4-13-10-15(23-7-6-16(18)19)11-14(5-2)17(13)24-9-8-22-12(3)20-21/h6,10-11,21H,4-5,7-9H2,1-3H3
InChIKeyOWOMGFCHSSVVIM-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.71
Rot. Bonds9

About 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate

2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate (PubChem CID 173216470) has the molecular formula C17H23Cl2NO4 and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate.

Molecular Properties

Compound Name2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate
PubChem CID173216470
Molecular FormulaC17H23Cl2NO4
Molecular Weight376.28 g/mol
Exact Mass375.10
IUPAC Name2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate
SMILESCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCOC(C)=NO
InChIInChI=1S/C17H23Cl2NO4/c1-4-13-10-15(23-7-6-16(18)19)11-14(5-2)17(13)24-9-8-22-12(3)20-21/h6,10-11,21H,4-5,7-9H2,1-3H3
InChIKeyOWOMGFCHSSVVIM-UHFFFAOYSA-N
XLogP4.71
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethylidene]hydroxylamine
CID 86584396
2-(3-bromopropoxy)-5-(3,3-dichloroprop-2-enoxy)-1,3-diethylbenzene
CID 54380239
3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]propyl N-(3,3-dichloroprop-2-enoxy)ethanimidate
CID 173216311
(E)-N-(3,3-dichloroprop-2-enoxy)-2-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]ethanimine
CID 18429756
5-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]pentyl N-[(2-methylpropan-2-yl)oxy]ethanimidate
CID 173216439
N-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]-4-methylpentan-2-imine
CID 54108396
[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenyl] N-[(2-methylpropan-2-yl)oxy]ethanimidate
CID 173216330
N-[2-[4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-2,6-diethylphenoxy]ethoxy]propan-2-imine
CID 22963465
(NE)-N-[5-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]pentylidene]hydroxylamine
CID 18429714
1-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]-N-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 57280385
N-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethoxy]prop-1-en-2-amine
CID 57255270
N-(3,3-dichloroprop-2-enoxy)-5-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]pent-1-en-1-amine
CID 57132606

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate?
The IUPAC name of 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate (CID 173216470) is 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate.
What is the SMILES notation for 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate?
The canonical SMILES for 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate is CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCOC(C)=NO.
What is the InChIKey of 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate?
The InChIKey is OWOMGFCHSSVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO4/c1-4-13-10-15(23-7-6-16(18)19)11-14(5-2)17(13)24-9-8-22-12(3)20-21/h6,10-11,21H,4-5,7-9H2,1-3H3.
What are the key properties of 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate?
2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate has a molecular weight of 376.28 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate is sourced from PubChem (CID 173216470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).