1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine

C66H130N2 — CID 155485451

IUPAC1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine
SMILESC=C(CCCCCCCCC(CCCCCCCCC(=C)CCC(CCCCCC)CCCCCCCC)N(NC)C(=C)CCCCCCCC)CCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C66H130N2/c1-10-15-20-25-34-41-50-63(8)68(67-9)66(55-46-37-30-28-32-39-48-61(6)57-59-64(51-42-23-18-13-4)53-44-35-26-21-16-11-2)56-47-38-31-29-33-40-49-62(7)58-60-65(52-43-24-19-14-5)54-45-36-27-22-17-12-3/h64-67H,6-8,10-60H2,1-5,9H3
InChIKeyOCRIGUNYLYXSIL-UHFFFAOYSA-N
MW951.78 g/mol
LogP23.64
Rot. Bonds58

About 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine

1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine (PubChem CID 155485451) has the molecular formula C66H130N2 and a molecular weight of 951.78 g/mol. Its IUPAC name is 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine.

Molecular Properties

Compound Name1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine
PubChem CID155485451
Molecular FormulaC66H130N2
Molecular Weight951.78 g/mol
Exact Mass951.02
IUPAC Name1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine
SMILESC=C(CCCCCCCCC(CCCCCCCCC(=C)CCC(CCCCCC)CCCCCCCC)N(NC)C(=C)CCCCCCCC)CCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C66H130N2/c1-10-15-20-25-34-41-50-63(8)68(67-9)66(55-46-37-30-28-32-39-48-61(6)57-59-64(51-42-23-18-13-4)53-44-35-26-21-16-11-2)56-47-38-31-29-33-40-49-62(7)58-60-65(52-43-24-19-14-5)54-45-36-27-22-17-12-3/h64-67H,6-8,10-60H2,1-5,9H3
InChIKeyOCRIGUNYLYXSIL-UHFFFAOYSA-N
XLogP23.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds58
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.78
LogP ≤ 523.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine?
The IUPAC name of 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine (CID 155485451) is 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine.
What is the SMILES notation for 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine?
The canonical SMILES for 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine is C=C(CCCCCCCCC(CCCCCCCCC(=C)CCC(CCCCCC)CCCCCCCC)N(NC)C(=C)CCCCCCCC)CCC(CCCCCC)CCCCCCCC.
What is the InChIKey of 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine?
The InChIKey is OCRIGUNYLYXSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H130N2/c1-10-15-20-25-34-41-50-63(8)68(67-9)66(55-46-37-30-28-32-39-48-61(6)57-59-64(51-42-23-18-13-4)53-44-35-26-21-16-11-2)56-47-38-31-29-33-40-49-62(7)58-60-65(52-43-24-19-14-5)54-45-36-27-22-17-12-3/h64-67H,6-8,10-60H2,1-5,9H3.
What are the key properties of 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine?
1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine has a molecular weight of 951.78 g/mol, XLogP of 23.64, 58 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine is sourced from PubChem (CID 155485451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).