6-octoxyundecane

C19H40O — CID 20520524

IUPAC6-octoxyundecane
SMILESCCCCCCCCOC(CCCCC)CCCCC
InChIInChI=1S/C19H40O/c1-4-7-10-11-12-15-18-20-19(16-13-8-5-2)17-14-9-6-3/h19H,4-18H2,1-3H3
InChIKeyWVROIPAADOYZKL-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.89
Rot. Bonds16

About 6-octoxyundecane

6-octoxyundecane (PubChem CID 20520524) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 6-octoxyundecane.

Molecular Properties

Compound Name6-octoxyundecane
PubChem CID20520524
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name6-octoxyundecane
SMILESCCCCCCCCOC(CCCCC)CCCCC
InChIInChI=1S/C19H40O/c1-4-7-10-11-12-15-18-20-19(16-13-8-5-2)17-14-9-6-3/h19H,4-18H2,1-3H3
InChIKeyWVROIPAADOYZKL-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.89
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

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CID 150196888
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CID 175347971
2-dodecoxytridecan-1-ol
CID 23171962
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CID 139752074
19-[5-(5-bromopentoxy)pentadecyl]heptatriacontane
CID 177291631
2-docosan-10-yloxyethanol
CID 173141834
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CID 175487629

Frequently Asked Questions

What is the IUPAC name of 6-octoxyundecane?
The IUPAC name of 6-octoxyundecane (CID 20520524) is 6-octoxyundecane.
What is the SMILES notation for 6-octoxyundecane?
The canonical SMILES for 6-octoxyundecane is CCCCCCCCOC(CCCCC)CCCCC.
What is the InChIKey of 6-octoxyundecane?
The InChIKey is WVROIPAADOYZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-4-7-10-11-12-15-18-20-19(16-13-8-5-2)17-14-9-6-3/h19H,4-18H2,1-3H3.
What are the key properties of 6-octoxyundecane?
6-octoxyundecane has a molecular weight of 284.53 g/mol, XLogP of 6.89, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octoxyundecane is sourced from PubChem (CID 20520524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).