4-(trioxidanyl)undecane

C11H24O3 — CID 140639892

IUPAC4-(trioxidanyl)undecane
SMILESCCCCCCCC(CCC)OOO
InChIInChI=1S/C11H24O3/c1-3-5-6-7-8-10-11(9-4-2)13-14-12/h11-12H,3-10H2,1-2H3
InChIKeyOGQWPISQTKGPSG-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.94
Rot. Bonds10

About 4-(trioxidanyl)undecane

4-(trioxidanyl)undecane (PubChem CID 140639892) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(trioxidanyl)undecane.

Molecular Properties

Compound Name4-(trioxidanyl)undecane
PubChem CID140639892
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name4-(trioxidanyl)undecane
SMILESCCCCCCCC(CCC)OOO
InChIInChI=1S/C11H24O3/c1-3-5-6-7-8-10-11(9-4-2)13-14-12/h11-12H,3-10H2,1-2H3
InChIKeyOGQWPISQTKGPSG-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-hydroperoxyperoxyundecane
CID 141347874
12-(trioxidanyl)octadecanoic acid
CID 19862057
4-icosan-4-yloxyicosane
CID 87313284
2-(trioxidanyl)undecane
CID 140733486
3-hydroperoxyperoxytetradecane
CID 140639805
henicosan-4-yloxy dihydrogen phosphate
CID 175269887
4-hexadecan-5-yloxyhexadecane
CID 57069400
tridecan-4-yloxymethanediol
CID 160683891
henicosan-4-yl dihydrogen phosphate
CID 175269897
9-(trioxidanyl)octadeca-2,4-dienoic acid
CID 173047990
15-(trioxidanyl)icosa-2,4,6,8-tetraenoic acid
CID 74016636
nonadecan-4-yl hydrogen carbonate
CID 87300318

Frequently Asked Questions

What is the IUPAC name of 4-(trioxidanyl)undecane?
The IUPAC name of 4-(trioxidanyl)undecane (CID 140639892) is 4-(trioxidanyl)undecane.
What is the SMILES notation for 4-(trioxidanyl)undecane?
The canonical SMILES for 4-(trioxidanyl)undecane is CCCCCCCC(CCC)OOO.
What is the InChIKey of 4-(trioxidanyl)undecane?
The InChIKey is OGQWPISQTKGPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-3-5-6-7-8-10-11(9-4-2)13-14-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(trioxidanyl)undecane?
4-(trioxidanyl)undecane has a molecular weight of 204.31 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trioxidanyl)undecane is sourced from PubChem (CID 140639892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).