[4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine

C12H26N2OS2 — CID 103026995

IUPAC[4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)C1SCCSC1C
InChIInChI=1S/C12H26N2OS2/c1-9-11(17-8-7-16-9)10(14-13)5-6-12(2,3)15-4/h9-11,14H,5-8,13H2,1-4H3
InChIKeyWXOZLOCZKWVCAF-UHFFFAOYSA-N
MW278.49 g/mol
LogP2.26
Rot. Bonds6

About [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine

[4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine (PubChem CID 103026995) has the molecular formula C12H26N2OS2 and a molecular weight of 278.49 g/mol. Its IUPAC name is [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
PubChem CID103026995
Molecular FormulaC12H26N2OS2
Molecular Weight278.49 g/mol
Exact Mass278.15
IUPAC Name[4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)C1SCCSC1C
InChIInChI=1S/C12H26N2OS2/c1-9-11(17-8-7-16-9)10(14-13)5-6-12(2,3)15-4/h9-11,14H,5-8,13H2,1-4H3
InChIKeyWXOZLOCZKWVCAF-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
The IUPAC name of [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine (CID 103026995) is [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine.
What is the SMILES notation for [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
The canonical SMILES for [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine is COC(C)(C)CCC(NN)C1SCCSC1C.
What is the InChIKey of [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
The InChIKey is WXOZLOCZKWVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS2/c1-9-11(17-8-7-16-9)10(14-13)5-6-12(2,3)15-4/h9-11,14H,5-8,13H2,1-4H3.
What are the key properties of [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine?
[4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine has a molecular weight of 278.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-methyl-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine is sourced from PubChem (CID 103026995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).