2-(trioxidanyl)undecane

C11H24O3 — CID 140733486

IUPAC2-(trioxidanyl)undecane
SMILESCCCCCCCCCC(C)OOO
InChIInChI=1S/C11H24O3/c1-3-4-5-6-7-8-9-10-11(2)13-14-12/h11-12H,3-10H2,1-2H3
InChIKeyAQZMOBZFGVASQE-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.94
Rot. Bonds10

About 2-(trioxidanyl)undecane

2-(trioxidanyl)undecane (PubChem CID 140733486) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(trioxidanyl)undecane.

Molecular Properties

Compound Name2-(trioxidanyl)undecane
PubChem CID140733486
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-(trioxidanyl)undecane
SMILESCCCCCCCCCC(C)OOO
InChIInChI=1S/C11H24O3/c1-3-4-5-6-7-8-9-10-11(2)13-14-12/h11-12H,3-10H2,1-2H3
InChIKeyAQZMOBZFGVASQE-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-(trioxidanyl)undecane
CID 140639892
2-hydroperoxyperoxyperoxyhexane
CID 87664720
pentadecan-2-yloxy hydrogen sulfate
CID 141299073
octan-2-yloxymethanol
CID 57306212
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
tetradecan-2-yloxysilane
CID 173015270
O-hexadecan-2-ylhydroxylamine
CID 18799052
2-ethoxytridecane
CID 54143367

Frequently Asked Questions

What is the IUPAC name of 2-(trioxidanyl)undecane?
The IUPAC name of 2-(trioxidanyl)undecane (CID 140733486) is 2-(trioxidanyl)undecane.
What is the SMILES notation for 2-(trioxidanyl)undecane?
The canonical SMILES for 2-(trioxidanyl)undecane is CCCCCCCCCC(C)OOO.
What is the InChIKey of 2-(trioxidanyl)undecane?
The InChIKey is AQZMOBZFGVASQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-3-4-5-6-7-8-9-10-11(2)13-14-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(trioxidanyl)undecane?
2-(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 2-(trioxidanyl)undecane is sourced from PubChem (CID 140733486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).