10-ethenyl-10-(2-methylpropoxy)icosane

C26H52O — CID 157210164

IUPAC10-ethenyl-10-(2-methylpropoxy)icosane
SMILESC=CC(CCCCCCCCC)(CCCCCCCCCC)OCC(C)C
InChIInChI=1S/C26H52O/c1-6-9-11-13-15-17-19-21-23-26(8-3,27-24-25(4)5)22-20-18-16-14-12-10-7-2/h8,25H,3,6-7,9-24H2,1-2,4-5H3
InChIKeyARULYXVKFZZVJD-UHFFFAOYSA-N
MW380.70 g/mol
LogP9.26
Rot. Bonds21

About 10-ethenyl-10-(2-methylpropoxy)icosane

10-ethenyl-10-(2-methylpropoxy)icosane (PubChem CID 157210164) has the molecular formula C26H52O and a molecular weight of 380.70 g/mol. Its IUPAC name is 10-ethenyl-10-(2-methylpropoxy)icosane.

Molecular Properties

Compound Name10-ethenyl-10-(2-methylpropoxy)icosane
PubChem CID157210164
Molecular FormulaC26H52O
Molecular Weight380.70 g/mol
Exact Mass380.40
IUPAC Name10-ethenyl-10-(2-methylpropoxy)icosane
SMILESC=CC(CCCCCCCCC)(CCCCCCCCCC)OCC(C)C
InChIInChI=1S/C26H52O/c1-6-9-11-13-15-17-19-21-23-26(8-3,27-24-25(4)5)22-20-18-16-14-12-10-7-2/h8,25H,3,6-7,9-24H2,1-2,4-5H3
InChIKeyARULYXVKFZZVJD-UHFFFAOYSA-N
XLogP9.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-10-(2-methylpropoxy)icosane?
The IUPAC name of 10-ethenyl-10-(2-methylpropoxy)icosane (CID 157210164) is 10-ethenyl-10-(2-methylpropoxy)icosane.
What is the SMILES notation for 10-ethenyl-10-(2-methylpropoxy)icosane?
The canonical SMILES for 10-ethenyl-10-(2-methylpropoxy)icosane is C=CC(CCCCCCCCC)(CCCCCCCCCC)OCC(C)C.
What is the InChIKey of 10-ethenyl-10-(2-methylpropoxy)icosane?
The InChIKey is ARULYXVKFZZVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O/c1-6-9-11-13-15-17-19-21-23-26(8-3,27-24-25(4)5)22-20-18-16-14-12-10-7-2/h8,25H,3,6-7,9-24H2,1-2,4-5H3.
What are the key properties of 10-ethenyl-10-(2-methylpropoxy)icosane?
10-ethenyl-10-(2-methylpropoxy)icosane has a molecular weight of 380.70 g/mol, XLogP of 9.26, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-10-(2-methylpropoxy)icosane is sourced from PubChem (CID 157210164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).