ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate

C18H25ClN2O2 — CID 177442913

IUPACethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate
SMILESCCOC(=O)/C(=N\Nc1ccc(Cl)cc1)C(C)CCC=C(C)C
InChIInChI=1S/C18H25ClN2O2/c1-5-23-18(22)17(14(4)8-6-7-13(2)3)21-20-16-11-9-15(19)10-12-16/h7,9-12,14,20H,5-6,8H2,1-4H3/b21-17-
InChIKeyVNGKEQSYPDQRNI-FXBPSFAMSA-N
MW336.86 g/mol
LogP5.05
Rot. Bonds8

About ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate

ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate (PubChem CID 177442913) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate
PubChem CID177442913
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Nameethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate
SMILESCCOC(=O)/C(=N\Nc1ccc(Cl)cc1)C(C)CCC=C(C)C
InChIInChI=1S/C18H25ClN2O2/c1-5-23-18(22)17(14(4)8-6-7-13(2)3)21-20-16-11-9-15(19)10-12-16/h7,9-12,14,20H,5-6,8H2,1-4H3/b21-17-
InChIKeyVNGKEQSYPDQRNI-FXBPSFAMSA-N
XLogP5.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.86
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate 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

ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780
ethyl (2E)-4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 10600492
ethyl 4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 85200793
ethyl N-[(3S)-3,7-dimethyloct-6-enyl]carbamate
CID 125470360
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 86674809
diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-1-phenylethylidene]propanedioate
CID 134868912
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate?
The IUPAC name of ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate (CID 177442913) is ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate.
What is the SMILES notation for ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate?
The canonical SMILES for ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate is CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)C(C)CCC=C(C)C.
What is the InChIKey of ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate?
The InChIKey is VNGKEQSYPDQRNI-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-5-23-18(22)17(14(4)8-6-7-13(2)3)21-20-16-11-9-15(19)10-12-16/h7,9-12,14,20H,5-6,8H2,1-4H3/b21-17-.
What are the key properties of ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate?
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate has a molecular weight of 336.86 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate is sourced from PubChem (CID 177442913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).