(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine

C12H22N2OS — CID 103026513

IUPAC(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
SMILESCOC(C)(C)CCC(Cc1cccs1)NN
InChIInChI=1S/C12H22N2OS/c1-12(2,15-3)7-6-10(14-13)9-11-5-4-8-16-11/h4-5,8,10,14H,6-7,9,13H2,1-3H3
InChIKeyDWEIMGTYJUJRQW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.33
Rot. Bonds7

About (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine

(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine (PubChem CID 103026513) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine.

Molecular Properties

Compound Name(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
PubChem CID103026513
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
SMILESCOC(C)(C)CCC(Cc1cccs1)NN
InChIInChI=1S/C12H22N2OS/c1-12(2,15-3)7-6-10(14-13)9-11-5-4-8-16-11/h4-5,8,10,14H,6-7,9,13H2,1-3H3
InChIKeyDWEIMGTYJUJRQW-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.33
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 (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine?
The IUPAC name of (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine (CID 103026513) is (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine.
What is the SMILES notation for (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine?
The canonical SMILES for (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine is COC(C)(C)CCC(Cc1cccs1)NN.
What is the InChIKey of (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine?
The InChIKey is DWEIMGTYJUJRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(2,15-3)7-6-10(14-13)9-11-5-4-8-16-11/h4-5,8,10,14H,6-7,9,13H2,1-3H3.
What are the key properties of (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine?
(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine has a molecular weight of 242.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine is sourced from PubChem (CID 103026513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).