2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate

C11H15Cl2NO2 — CID 146492335

IUPAC2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate
SMILES[H]/N=C(/OC(C)(C)C1=CCCC=C1)C(O)(Cl)Cl
InChIInChI=1S/C11H15Cl2NO2/c1-10(2,8-6-4-3-5-7-8)16-9(14)11(12,13)15/h4,6-7,14-15H,3,5H2,1-2H3/b14-9+
InChIKeyAZOOMCSNBDLRIE-NTEUORMPSA-N
MW264.15 g/mol
LogP3.16
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate

2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate (PubChem CID 146492335) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate
PubChem CID146492335
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate
SMILES[H]/N=C(/OC(C)(C)C1=CCCC=C1)C(O)(Cl)Cl
InChIInChI=1S/C11H15Cl2NO2/c1-10(2,8-6-4-3-5-7-8)16-9(14)11(12,13)15/h4,6-7,14-15H,3,5H2,1-2H3/b14-9+
InChIKeyAZOOMCSNBDLRIE-NTEUORMPSA-N
XLogP3.16
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2-methylpropanoate
CID 144560855
2-tert-butylcyclohexa-1,3-diene;phosphane
CID 159538716
2-[2-(disulfanyl)propan-2-yl]cyclohexa-1,3-diene
CID 144619532
2-cyclohexa-1,5-dien-1-ylbutan-2-yl acetate
CID 144561266
2-(4-chlorophenyl)propan-2-yl 2,2,2-trichloroethanimidate
CID 66918649
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
2-(methoxymethylsulfanyl)cyclohexa-1,3-diene
CID 176555670
methyl N-cyclohexa-1,5-dien-1-ylcarbamate
CID 145077973
methyl 2-chloro-2-methylbutanimidate
CID 118057274
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
S-cyclohexa-1,5-dien-1-yl ethanethioate
CID 118912702
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate (CID 146492335) is 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate is [H]/N=C(/OC(C)(C)C1=CCCC=C1)C(O)(Cl)Cl.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate?
The InChIKey is AZOOMCSNBDLRIE-NTEUORMPSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-10(2,8-6-4-3-5-7-8)16-9(14)11(12,13)15/h4,6-7,14-15H,3,5H2,1-2H3/b14-9+.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate?
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate has a molecular weight of 264.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate is sourced from PubChem (CID 146492335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).