ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate

C16H30N2O2 — CID 6149769

IUPACethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate
SMILESCCOC(=O)CCCC/C(C)=N\N=C(C(C)C)C(C)C
InChIInChI=1S/C16H30N2O2/c1-7-20-15(19)11-9-8-10-14(6)17-18-16(12(2)3)13(4)5/h12-13H,7-11H2,1-6H3/b17-14-
InChIKeyKIGUWCGIPNYECD-VKAVYKQESA-N
MW282.43 g/mol
LogP4.24
Rot. Bonds9

About ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate

ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate (PubChem CID 6149769) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate.

Molecular Properties

Compound Nameethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate
PubChem CID6149769
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate
SMILESCCOC(=O)CCCC/C(C)=N\N=C(C(C)C)C(C)C
InChIInChI=1S/C16H30N2O2/c1-7-20-15(19)11-9-8-10-14(6)17-18-16(12(2)3)13(4)5/h12-13H,7-11H2,1-6H3/b17-14-
InChIKeyKIGUWCGIPNYECD-VKAVYKQESA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate?
The IUPAC name of ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate (CID 6149769) is ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate.
What is the SMILES notation for ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate?
The canonical SMILES for ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate is CCOC(=O)CCCC/C(C)=N\N=C(C(C)C)C(C)C.
What is the InChIKey of ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate?
The InChIKey is KIGUWCGIPNYECD-VKAVYKQESA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-20-15(19)11-9-8-10-14(6)17-18-16(12(2)3)13(4)5/h12-13H,7-11H2,1-6H3/b17-14-.
What are the key properties of ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate?
ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate has a molecular weight of 282.43 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z)-6-(2,4-dimethylpentan-3-ylidenehydrazinylidene)heptanoate is sourced from PubChem (CID 6149769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).