1,4,7-trioxacyclotridecane

C10H20O3 — CID 118017817

IUPAC1,4,7-trioxacyclotridecane
SMILESC1CCCOCCOCCOCC1
InChIInChI=1S/C10H20O3/c1-2-4-6-12-8-10-13-9-7-11-5-3-1/h1-10H2
InChIKeyZVBDYNHAGOQFAT-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.61
Rot. Bonds

About 1,4,7-trioxacyclotridecane

1,4,7-trioxacyclotridecane (PubChem CID 118017817) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,4,7-trioxacyclotridecane.

Molecular Properties

Compound Name1,4,7-trioxacyclotridecane
PubChem CID118017817
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,4,7-trioxacyclotridecane
SMILESC1CCCOCCOCCOCC1
InChIInChI=1S/C10H20O3/c1-2-4-6-12-8-10-13-9-7-11-5-3-1/h1-10H2
InChIKeyZVBDYNHAGOQFAT-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
oxacyclotetradecane;dihydrate
CID 173194889
λ2-plumbane;oxane
CID 173444965
oxane;selane
CID 173094887
oxane;zinc
CID 66716277
oxane dichloride
CID 19601825

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trioxacyclotridecane?
The IUPAC name of 1,4,7-trioxacyclotridecane (CID 118017817) is 1,4,7-trioxacyclotridecane.
What is the SMILES notation for 1,4,7-trioxacyclotridecane?
The canonical SMILES for 1,4,7-trioxacyclotridecane is C1CCCOCCOCCOCC1.
What is the InChIKey of 1,4,7-trioxacyclotridecane?
The InChIKey is ZVBDYNHAGOQFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-4-6-12-8-10-13-9-7-11-5-3-1/h1-10H2.
What are the key properties of 1,4,7-trioxacyclotridecane?
1,4,7-trioxacyclotridecane has a molecular weight of 188.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trioxacyclotridecane is sourced from PubChem (CID 118017817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).