1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine

C20H36N2S — CID 143996660

IUPAC1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine
SMILESC=CNN/C(=C\CSCC(C)C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H36N2S/c1-7-21-22-20(14-15-23-16-18(4)5)13-9-12-19(6)11-8-10-17(2)3/h7,10,12,14,18,21-22H,1,8-9,11,13,15-16H2,2-6H3/b19-12+,20-14-
InChIKeyZBGCHMKOAXGCQA-XXOHTHHSSA-N
MW336.59 g/mol
LogP5.97
Rot. Bonds13

About 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine

1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine (PubChem CID 143996660) has the molecular formula C20H36N2S and a molecular weight of 336.59 g/mol. Its IUPAC name is 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine.

Molecular Properties

Compound Name1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine
PubChem CID143996660
Molecular FormulaC20H36N2S
Molecular Weight336.59 g/mol
Exact Mass336.26
IUPAC Name1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine
SMILESC=CNN/C(=C\CSCC(C)C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H36N2S/c1-7-21-22-20(14-15-23-16-18(4)5)13-9-12-19(6)11-8-10-17(2)3/h7,10,12,14,18,21-22H,1,8-9,11,13,15-16H2,2-6H3/b19-12+,20-14-
InChIKeyZBGCHMKOAXGCQA-XXOHTHHSSA-N
XLogP5.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine?
The IUPAC name of 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine (CID 143996660) is 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine.
What is the SMILES notation for 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine?
The canonical SMILES for 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine is C=CNN/C(=C\CSCC(C)C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine?
The InChIKey is ZBGCHMKOAXGCQA-XXOHTHHSSA-N. The full InChI is InChI=1S/C20H36N2S/c1-7-21-22-20(14-15-23-16-18(4)5)13-9-12-19(6)11-8-10-17(2)3/h7,10,12,14,18,21-22H,1,8-9,11,13,15-16H2,2-6H3/b19-12+,20-14-.
What are the key properties of 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine?
1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine has a molecular weight of 336.59 g/mol, XLogP of 5.97, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine is sourced from PubChem (CID 143996660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).