1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine

C13H26N2O — CID 105311393

IUPAC1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)C1C(C)OC(C)C1C
InChIInChI=1S/C13H26N2O/c1-5-6-7-8-12(15-14)13-9(2)10(3)16-11(13)4/h5,9-13,15H,1,6-8,14H2,2-4H3
InChIKeyWKOSUJLEULPEDG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.23
Rot. Bonds6

About 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine

1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine (PubChem CID 105311393) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine
PubChem CID105311393
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)C1C(C)OC(C)C1C
InChIInChI=1S/C13H26N2O/c1-5-6-7-8-12(15-14)13-9(2)10(3)16-11(13)4/h5,9-13,15H,1,6-8,14H2,2-4H3
InChIKeyWKOSUJLEULPEDG-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine (CID 105311393) is 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine is C=CCCCC(NN)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine?
The InChIKey is WKOSUJLEULPEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-7-8-12(15-14)13-9(2)10(3)16-11(13)4/h5,9-13,15H,1,6-8,14H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine?
1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine has a molecular weight of 226.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolan-3-yl)hex-5-enylhydrazine is sourced from PubChem (CID 105311393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).