1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene

C28H54O — CID 139610664

IUPAC1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene
SMILESCC(C)(C)CCCCCCCCC=COC=CCCCCCCCCC(C)(C)C
InChIInChI=1S/C28H54O/c1-27(2,3)23-19-15-11-7-9-13-17-21-25-29-26-22-18-14-10-8-12-16-20-24-28(4,5)6/h21-22,25-26H,7-20,23-24H2,1-6H3
InChIKeyZTAFDILXRJUBOA-UHFFFAOYSA-N
MW406.74 g/mol
LogP10.36
Rot. Bonds18

About 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene

1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene (PubChem CID 139610664) has the molecular formula C28H54O and a molecular weight of 406.74 g/mol. Its IUPAC name is 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene.

Molecular Properties

Compound Name1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene
PubChem CID139610664
Molecular FormulaC28H54O
Molecular Weight406.74 g/mol
Exact Mass406.42
IUPAC Name1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene
SMILESCC(C)(C)CCCCCCCCC=COC=CCCCCCCCCC(C)(C)C
InChIInChI=1S/C28H54O/c1-27(2,3)23-19-15-11-7-9-13-17-21-25-29-26-22-18-14-10-8-12-16-20-24-28(4,5)6/h21-22,25-26H,7-20,23-24H2,1-6H3
InChIKeyZTAFDILXRJUBOA-UHFFFAOYSA-N
XLogP10.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 160729242

Frequently Asked Questions

What is the IUPAC name of 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene?
The IUPAC name of 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene (CID 139610664) is 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene.
What is the SMILES notation for 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene?
The canonical SMILES for 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene is CC(C)(C)CCCCCCCCC=COC=CCCCCCCCCC(C)(C)C.
What is the InChIKey of 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene?
The InChIKey is ZTAFDILXRJUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O/c1-27(2,3)23-19-15-11-7-9-13-17-21-25-29-26-22-18-14-10-8-12-16-20-24-28(4,5)6/h21-22,25-26H,7-20,23-24H2,1-6H3.
What are the key properties of 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene?
1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene has a molecular weight of 406.74 g/mol, XLogP of 10.36, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene is sourced from PubChem (CID 139610664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).