3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide

C12H25IN2O3 — CID 163938191

IUPAC3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide
SMILESCC(C)(CCOCCNN)OC(C)(C)CC(=O)I
InChIInChI=1S/C12H25IN2O3/c1-11(2,5-7-17-8-6-15-14)18-12(3,4)9-10(13)16/h15H,5-9,14H2,1-4H3
InChIKeyROQIZCBVECPFGF-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.78
Rot. Bonds10

About 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide

3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide (PubChem CID 163938191) has the molecular formula C12H25IN2O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide.

Molecular Properties

Compound Name3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide
PubChem CID163938191
Molecular FormulaC12H25IN2O3
Molecular Weight372.25 g/mol
Exact Mass372.09
IUPAC Name3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide
SMILESCC(C)(CCOCCNN)OC(C)(C)CC(=O)I
InChIInChI=1S/C12H25IN2O3/c1-11(2,5-7-17-8-6-15-14)18-12(3,4)9-10(13)16/h15H,5-9,14H2,1-4H3
InChIKeyROQIZCBVECPFGF-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydrazinylethoxy)ethoxy]acetamide
CID 123413138
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 155739307
2-(2-hydrazinylethoxy)-2-methylpropan-1-ol
CID 126700280
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715
2-[(2-methylpropan-2-yl)oxy]ethylhydrazine
CID 86615301
3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid
CID 66234015
2-pentoxyethylhydrazine
CID 130704956

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide?
The IUPAC name of 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide (CID 163938191) is 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide.
What is the SMILES notation for 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide?
The canonical SMILES for 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide is CC(C)(CCOCCNN)OC(C)(C)CC(=O)I.
What is the InChIKey of 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide?
The InChIKey is ROQIZCBVECPFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IN2O3/c1-11(2,5-7-17-8-6-15-14)18-12(3,4)9-10(13)16/h15H,5-9,14H2,1-4H3.
What are the key properties of 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide?
3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide has a molecular weight of 372.25 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide is sourced from PubChem (CID 163938191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).