1,2,3-trioxacyclotridecane

C10H20O3 — CID 173021633

IUPAC1,2,3-trioxacyclotridecane
SMILESC1CCCCCOOOCCCC1
InChIInChI=1S/C10H20O3/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-10H2
InChIKeyXOKVRZNHSLEHLR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds

About 1,2,3-trioxacyclotridecane

1,2,3-trioxacyclotridecane (PubChem CID 173021633) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3-trioxacyclotridecane.

Molecular Properties

Compound Name1,2,3-trioxacyclotridecane
PubChem CID173021633
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,2,3-trioxacyclotridecane
SMILESC1CCCCCOOOCCCC1
InChIInChI=1S/C10H20O3/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-10H2
InChIKeyXOKVRZNHSLEHLR-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trioxepane
CID 22026430
1,2,3,4,5-pentaoxacyclononadecane
CID 87887088
trioxane
CID 88655753
bis(trioxane);hydrobromide
CID 87292211
1,2,3-trioxa-6,12-diazacyclopentadecane
CID 141220114
1,2,5-trioxecane
CID 21461492
1,4,7-trioxacyclotridecane
CID 118017817
sodium;dioxane;hydroxide
CID 23667844
cyclobutane;1,4-dioxane
CID 160886837
1,2,4-trioxonane
CID 139949049
1,4-dioxane;nitromethane;trioxane
CID 88818330
trioxecane-4-carbaldehyde
CID 91802201

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trioxacyclotridecane?
The IUPAC name of 1,2,3-trioxacyclotridecane (CID 173021633) is 1,2,3-trioxacyclotridecane.
What is the SMILES notation for 1,2,3-trioxacyclotridecane?
The canonical SMILES for 1,2,3-trioxacyclotridecane is C1CCCCCOOOCCCC1.
What is the InChIKey of 1,2,3-trioxacyclotridecane?
The InChIKey is XOKVRZNHSLEHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-10H2.
What are the key properties of 1,2,3-trioxacyclotridecane?
1,2,3-trioxacyclotridecane has a molecular weight of 188.27 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trioxacyclotridecane is sourced from PubChem (CID 173021633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).