[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine

C13H28N2O2 — CID 103026355

IUPAC[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
SMILESCOC(C)(C)CCC(CCC1CCCO1)NN
InChIInChI=1S/C13H28N2O2/c1-13(2,16-3)9-8-11(15-14)6-7-12-5-4-10-17-12/h11-12,15H,4-10,14H2,1-3H3
InChIKeyIPKDGELKOFOOIR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.98
Rot. Bonds8

About [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine

[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine (PubChem CID 103026355) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
PubChem CID103026355
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
SMILESCOC(C)(C)CCC(CCC1CCCO1)NN
InChIInChI=1S/C13H28N2O2/c1-13(2,16-3)9-8-11(15-14)6-7-12-5-4-10-17-12/h11-12,15H,4-10,14H2,1-3H3
InChIKeyIPKDGELKOFOOIR-UHFFFAOYSA-N
XLogP1.98
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine?
The IUPAC name of [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine (CID 103026355) is [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine.
What is the SMILES notation for [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine?
The canonical SMILES for [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine is COC(C)(C)CCC(CCC1CCCO1)NN.
What is the InChIKey of [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine?
The InChIKey is IPKDGELKOFOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(2,16-3)9-8-11(15-14)6-7-12-5-4-10-17-12/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine?
[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine has a molecular weight of 244.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine is sourced from PubChem (CID 103026355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).