1,5,9-trioxacyclododecane

C9H18O3 — CID 23620147

IUPAC1,5,9-trioxacyclododecane
SMILESC1COCCCOCCCOC1
InChIInChI=1S/C9H18O3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h1-9H2
InChIKeyVHWMQWZUNGLUCL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.22
Rot. Bonds

About 1,5,9-trioxacyclododecane

1,5,9-trioxacyclododecane (PubChem CID 23620147) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,5,9-trioxacyclododecane.

Molecular Properties

Compound Name1,5,9-trioxacyclododecane
PubChem CID23620147
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1,5,9-trioxacyclododecane
SMILESC1COCCCOCCCOC1
InChIInChI=1S/C9H18O3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h1-9H2
InChIKeyVHWMQWZUNGLUCL-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-3-(3-methoxypropoxy)propane
CID 86302
1-Butoxy-3-methoxypropane
CID 161503
1,3-Diethoxypropane
CID 137943
Ethoxypropanol butyl ether
CID 57508774
1,5,9,13-Tetraoxacyclohexadecane
CID 5250507
1,3-Ethoxymethoxypropane
CID 6427574
1,4,8,11-Tetraoxacyclotetradecane
CID 13615995
1-Methoxy-3-propoxypropane
CID 19812566
1,4,7,10,13,16-Hexaoxacyclononadecane
CID 12498462
16-Crown-5
CID 13165041
1,4,7,11,14,17-Hexaoxacycloicosane
CID 13165045
1,4,7,11-Tetraoxacyclotetradecane
CID 101022253

Frequently Asked Questions

What is the IUPAC name of 1,5,9-trioxacyclododecane?
The IUPAC name of 1,5,9-trioxacyclododecane (CID 23620147) is 1,5,9-trioxacyclododecane.
What is the SMILES notation for 1,5,9-trioxacyclododecane?
The canonical SMILES for 1,5,9-trioxacyclododecane is C1COCCCOCCCOC1.
What is the InChIKey of 1,5,9-trioxacyclododecane?
The InChIKey is VHWMQWZUNGLUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h1-9H2.
What are the key properties of 1,5,9-trioxacyclododecane?
1,5,9-trioxacyclododecane has a molecular weight of 174.24 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-trioxacyclododecane is sourced from PubChem (CID 23620147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).