1-decoxydocosane

C32H66O — CID 87077677

IUPAC1-decoxydocosane
SMILESCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCC
InChIInChI=1S/C32H66O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-33-31-29-27-25-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKeyWZKUEMRYBYCMLI-UHFFFAOYSA-N
MW466.88 g/mol
LogP11.97
Rot. Bonds30

About 1-decoxydocosane

1-decoxydocosane (PubChem CID 87077677) has the molecular formula C32H66O and a molecular weight of 466.88 g/mol. Its IUPAC name is 1-decoxydocosane.

Molecular Properties

Compound Name1-decoxydocosane
PubChem CID87077677
Molecular FormulaC32H66O
Molecular Weight466.88 g/mol
Exact Mass466.51
IUPAC Name1-decoxydocosane
SMILESCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCC
InChIInChI=1S/C32H66O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-33-31-29-27-25-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKeyWZKUEMRYBYCMLI-UHFFFAOYSA-N
XLogP11.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862

Frequently Asked Questions

What is the IUPAC name of 1-decoxydocosane?
The IUPAC name of 1-decoxydocosane (CID 87077677) is 1-decoxydocosane.
What is the SMILES notation for 1-decoxydocosane?
The canonical SMILES for 1-decoxydocosane is CCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCC.
What is the InChIKey of 1-decoxydocosane?
The InChIKey is WZKUEMRYBYCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-33-31-29-27-25-12-10-8-6-4-2/h3-32H2,1-2H3.
What are the key properties of 1-decoxydocosane?
1-decoxydocosane has a molecular weight of 466.88 g/mol, XLogP of 11.97, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxydocosane is sourced from PubChem (CID 87077677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).