hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate

C8H18N2O4 — CID 66339470

IUPAChydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
SMILESCC(C)OCCOCCC(=O)ONN
InChIInChI=1S/C8H18N2O4/c1-7(2)13-6-5-12-4-3-8(11)14-10-9/h7,10H,3-6,9H2,1-2H3
InChIKeyYJTIKLBFIGGMIH-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.26
Rot. Bonds8

About hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate

hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate (PubChem CID 66339470) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
PubChem CID66339470
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Namehydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
SMILESCC(C)OCCOCCC(=O)ONN
InChIInChI=1S/C8H18N2O4/c1-7(2)13-6-5-12-4-3-8(11)14-10-9/h7,10H,3-6,9H2,1-2H3
InChIKeyYJTIKLBFIGGMIH-UHFFFAOYSA-N
XLogP-0.26
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
hydrazinyl 3-[methyl(2-propan-2-yloxyethyl)amino]propanoate
CID 81068250
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 112590265
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
CID 66339650
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
propyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121469615
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
methyl 3-propan-2-yloxypropanoate
CID 18469515
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate?
The IUPAC name of hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate (CID 66339470) is hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate.
What is the SMILES notation for hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate?
The canonical SMILES for hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate is CC(C)OCCOCCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate?
The InChIKey is YJTIKLBFIGGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-7(2)13-6-5-12-4-3-8(11)14-10-9/h7,10H,3-6,9H2,1-2H3.
What are the key properties of hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate?
hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate has a molecular weight of 206.24 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate is sourced from PubChem (CID 66339470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).