[(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine

C11H20N2O — CID 135190198

IUPAC[(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine
SMILESC=C(C)/C(C)=C(COC)\C(=C/C)NN
InChIInChI=1S/C11H20N2O/c1-6-11(13-12)10(7-14-5)9(4)8(2)3/h6,13H,2,7,12H2,1,3-5H3/b10-9-,11-6+
InChIKeyHCFLTESPWPMLHM-AOXGIJKRSA-N
MW196.29 g/mol
LogP1.89
Rot. Bonds5

About [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine

[(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine (PubChem CID 135190198) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine.

Molecular Properties

Compound Name[(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine
PubChem CID135190198
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine
SMILESC=C(C)/C(C)=C(COC)\C(=C/C)NN
InChIInChI=1S/C11H20N2O/c1-6-11(13-12)10(7-14-5)9(4)8(2)3/h6,13H,2,7,12H2,1,3-5H3/b10-9-,11-6+
InChIKeyHCFLTESPWPMLHM-AOXGIJKRSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine?
The IUPAC name of [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine (CID 135190198) is [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine.
What is the SMILES notation for [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine?
The canonical SMILES for [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine is C=C(C)/C(C)=C(COC)\C(=C/C)NN.
What is the InChIKey of [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine?
The InChIKey is HCFLTESPWPMLHM-AOXGIJKRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-11(13-12)10(7-14-5)9(4)8(2)3/h6,13H,2,7,12H2,1,3-5H3/b10-9-,11-6+.
What are the key properties of [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine?
[(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine has a molecular weight of 196.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-4-(methoxymethyl)-5,6-dimethylhepta-2,4,6-trien-3-yl]hydrazine is sourced from PubChem (CID 135190198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).