2-hexoxy-3-methoxypropanehydrazide

C10H22N2O3 — CID 103229247

IUPAC2-hexoxy-3-methoxypropanehydrazide
SMILESCCCCCCOC(COC)C(=O)NN
InChIInChI=1S/C10H22N2O3/c1-3-4-5-6-7-15-9(8-14-2)10(13)12-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyKTPQPWVWHNWTSK-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.59
Rot. Bonds9

About 2-hexoxy-3-methoxypropanehydrazide

2-hexoxy-3-methoxypropanehydrazide (PubChem CID 103229247) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-hexoxy-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-hexoxy-3-methoxypropanehydrazide
PubChem CID103229247
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-hexoxy-3-methoxypropanehydrazide
SMILESCCCCCCOC(COC)C(=O)NN
InChIInChI=1S/C10H22N2O3/c1-3-4-5-6-7-15-9(8-14-2)10(13)12-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyKTPQPWVWHNWTSK-UHFFFAOYSA-N
XLogP0.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 63575929
3-methyl-2-octoxybutanehydrazide
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CID 103229391
(2R,3R)-2,3-didodecoxy-4-hydrazinyl-4-oxobutanoic acid
CID 141133429
2-aminooxydodecanehydrazide
CID 19105405
3-methoxy-2-pentylsulfanylpropanehydrazide
CID 107760948
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
methyl 2-hydroxy-3-octadecoxybutanoate
CID 175428260
2-(1-methoxypropan-2-yloxy)pentanehydrazide
CID 83047017
henicosyl N-aminocarbamate
CID 174861039
azane;methyl tetradecyl carbonate
CID 118914581

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-3-methoxypropanehydrazide?
The IUPAC name of 2-hexoxy-3-methoxypropanehydrazide (CID 103229247) is 2-hexoxy-3-methoxypropanehydrazide.
What is the SMILES notation for 2-hexoxy-3-methoxypropanehydrazide?
The canonical SMILES for 2-hexoxy-3-methoxypropanehydrazide is CCCCCCOC(COC)C(=O)NN.
What is the InChIKey of 2-hexoxy-3-methoxypropanehydrazide?
The InChIKey is KTPQPWVWHNWTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-4-5-6-7-15-9(8-14-2)10(13)12-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 2-hexoxy-3-methoxypropanehydrazide?
2-hexoxy-3-methoxypropanehydrazide has a molecular weight of 218.30 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-3-methoxypropanehydrazide is sourced from PubChem (CID 103229247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).