2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate

C17H32N2O7 — CID 135302835

IUPAC2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
SMILESCC(C)C(=O)CCC(=O)OCCOCCOCCOC(C)(C)C(=O)NN
InChIInChI=1S/C17H32N2O7/c1-13(2)14(20)5-6-15(21)25-11-9-23-7-8-24-10-12-26-17(3,4)16(22)19-18/h13H,5-12,18H2,1-4H3,(H,19,22)
InChIKeyQVXWYMMHHSRHRU-UHFFFAOYSA-N
MW376.45 g/mol
LogP0.35
Rot. Bonds15

About 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate

2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate (PubChem CID 135302835) has the molecular formula C17H32N2O7 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate.

Molecular Properties

Compound Name2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
PubChem CID135302835
Molecular FormulaC17H32N2O7
Molecular Weight376.45 g/mol
Exact Mass376.22
IUPAC Name2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
SMILESCC(C)C(=O)CCC(=O)OCCOCCOCCOC(C)(C)C(=O)NN
InChIInChI=1S/C17H32N2O7/c1-13(2)14(20)5-6-15(21)25-11-9-23-7-8-24-10-12-26-17(3,4)16(22)19-18/h13H,5-12,18H2,1-4H3,(H,19,22)
InChIKeyQVXWYMMHHSRHRU-UHFFFAOYSA-N
XLogP0.35
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

2-[2-[2-[2-[2-[(4-ethylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
CID 142541832
2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate
CID 141473312
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
2-methyl-2-(7-methyl-6-oxooctoxy)propanamide
CID 163841187
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one;ethane;molecular hydrogen
CID 176567607
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972
2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
CID 123960864
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
CID 152997750

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate?
The IUPAC name of 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate (CID 135302835) is 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate.
What is the SMILES notation for 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate?
The canonical SMILES for 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate is CC(C)C(=O)CCC(=O)OCCOCCOCCOC(C)(C)C(=O)NN.
What is the InChIKey of 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate?
The InChIKey is QVXWYMMHHSRHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O7/c1-13(2)14(20)5-6-15(21)25-11-9-23-7-8-24-10-12-26-17(3,4)16(22)19-18/h13H,5-12,18H2,1-4H3,(H,19,22).
What are the key properties of 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate?
2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate has a molecular weight of 376.45 g/mol, XLogP of 0.35, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate is sourced from PubChem (CID 135302835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).