2-octan-2-yloxybutanehydrazide

C12H26N2O2 — CID 63574494

IUPAC2-octan-2-yloxybutanehydrazide
SMILESCCCCCCC(C)OC(CC)C(=O)NN
InChIInChI=1S/C12H26N2O2/c1-4-6-7-8-9-10(3)16-11(5-2)12(15)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyDYRJIAGOLVYUIE-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.13
Rot. Bonds9

About 2-octan-2-yloxybutanehydrazide

2-octan-2-yloxybutanehydrazide (PubChem CID 63574494) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-octan-2-yloxybutanehydrazide.

Molecular Properties

Compound Name2-octan-2-yloxybutanehydrazide
PubChem CID63574494
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-octan-2-yloxybutanehydrazide
SMILESCCCCCCC(C)OC(CC)C(=O)NN
InChIInChI=1S/C12H26N2O2/c1-4-6-7-8-9-10(3)16-11(5-2)12(15)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyDYRJIAGOLVYUIE-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 19105405
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
2-(1-methoxypropan-2-yloxy)pentanehydrazide
CID 83047017
2-aminooxybutanehydrazide
CID 19105384
3-methyl-6-nonan-2-yloxyheptan-2-one
CID 88917406
2-hexoxy-3-methoxypropanehydrazide
CID 103229247
bis(2-methylnonyl) butanedioate
CID 87342717
decan-2-yl 2-hydroxypropanoate
CID 118918104
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
2-octylbutanedihydrazide
CID 19764915
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxybutanehydrazide?
The IUPAC name of 2-octan-2-yloxybutanehydrazide (CID 63574494) is 2-octan-2-yloxybutanehydrazide.
What is the SMILES notation for 2-octan-2-yloxybutanehydrazide?
The canonical SMILES for 2-octan-2-yloxybutanehydrazide is CCCCCCC(C)OC(CC)C(=O)NN.
What is the InChIKey of 2-octan-2-yloxybutanehydrazide?
The InChIKey is DYRJIAGOLVYUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-6-7-8-9-10(3)16-11(5-2)12(15)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-octan-2-yloxybutanehydrazide?
2-octan-2-yloxybutanehydrazide has a molecular weight of 230.35 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxybutanehydrazide is sourced from PubChem (CID 63574494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).